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

Systemtic Name: N-(2-methoxyphenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: 2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-(2-methoxyphenyl)acetamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H25N3O4S/c1-34-22-10-4-3-9-20(22)28-25(31)17-30-21-16-18(26(32)29-14-6-7-15-29)12-13-24(21)35-23-11-5-2-8-19(23)27(30)33/h2-5,8-13,16H,6-7,14-15,17H2,1H3,(H,28,31)