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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)acetamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H24N2O4S/c1-4-27-19-15-17(10-12-23(19)32-22-8-6-5-7-18(22)25(27)29)26-24(28)14-16-9-11-20(30-2)21(13-16)31-3/h5-13,15H,4,14H2,1-3H3,(H,26,28)