Tienoxolol

Tienoxolol

Names
IUPAC name Ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate
Identifiers
CAS Number	90055-97-3^Y
3D model (JSmol)	Interactive image
ChemSpider	59107
PubChem CID	65678
UNII	44MR81YQ9R^Y
CompTox Dashboard(EPA)	DTXSID50869043
InChI InChI=1S/C21H28N2O5S/c1-5-27-20(26)16-11-14(23-19(25)18-7-6-10-29-18)8-9-17(16)28-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,25) Key: PHMRLCQEIQGCHH-UHFFFAOYSA-N InChI=1/C21H28N2O5S/c1-5-27-20(26)16-11-14(23-19(25)18-7-6-10-29-18)8-9-17(16)28-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,25) Key: PHMRLCQEIQGCHH-UHFFFAOYAL
SMILES CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)OCC(CNC(C)(C)C)O
Properties
Chemical formula	C₂₁H₂₈N₂O₅S
Molar mass	420.52 g·mol⁻¹
Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tienoxolol

Names

Ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate

Identifiers

3D model (JSmol)

InChI=1S/C21H28N2O5S/c1-5-27-20(26)16-11-14(23-19(25)18-7-6-10-29-18)8-9-17(16)28-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,25)
Key: PHMRLCQEIQGCHH-UHFFFAOYSA-N
InChI=1/C21H28N2O5S/c1-5-27-20(26)16-11-14(23-19(25)18-7-6-10-29-18)8-9-17(16)28-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,25)
Key: PHMRLCQEIQGCHH-UHFFFAOYAL

Properties

C₂₁H₂₈N₂O₅S

420.52 g·mol⁻¹

Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa).

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