N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3,4-dimethoxy-benzamide

Systemtic Name: N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(5-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3,4-dimethoxy-benzamide CAS Name: N-(5-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3,4-dimethoxybenzamide IUPAC Name: N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3,4-dimethoxybenzamide Traditional Name: N-(5-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3,4-dimethoxy-benzamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C5CCCC5)OC

InChI

InChI=1S/C27H26N2O4S/c1-32-22-13-11-17(15-23(22)33-2)26(30)28-18-12-14-25-21(16-18)29(19-7-3-4-8-19)27(31)20-9-5-6-10-24(20)34-25/h5-6,9-16,19H,3-4,7-8H2,1-2H3,(H,28,30)