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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O)OC

InChI

InChI=1S/C28H27N3O5S/c1-35-20-14-19(15-21(16-20)36-2)29-26(32)17-31-23-13-18(27(33)30-11-5-6-12-30)9-10-25(23)37-24-8-4-3-7-22(24)28(31)34/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3,(H,29,32)