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

Systemtic Name: N-(2-chlorophenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-chlorophenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)NC5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)NC5=CC=CC=C5Cl

InChI

InChI=1S/C26H22ClN3O3S/c27-19-8-2-3-9-20(19)28-24(31)16-30-21-15-17(25(32)29-13-5-6-14-29)11-12-23(21)34-22-10-4-1-7-18(22)26(30)33/h1-4,7-12,15H,5-6,13-14,16H2,(H,28,31)