2-(3,4-diethoxyphenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)ethanamide

Systemtic Name: 2-(3,4-diethoxyphenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)ethanamide Openeye Name: 2-(3,4-diethoxyphenyl)-N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)acetamide CAS Name: 2-(3,4-diethoxyphenyl)-N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)acetamide IUPAC Name: 2-(3,4-diethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)acetamide Traditional Name: 2-(3,4-diethoxyphenyl)-N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)acetamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C)OCC

InChI

InChI=1S/C26H26N2O4S/c1-4-31-21-12-10-17(14-22(21)32-5-2)15-25(29)27-18-11-13-24-20(16-18)28(3)26(30)19-8-6-7-9-23(19)33-24/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)