1-(3-chlorophenyl)-N-(5-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-N-(5-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-(5-cyclopropyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3-chlorophenyl)-N-(5-cyclopropyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-(5-cyclopropyl-6-keto-benzo[b][1,4]benzothiazepin-2-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C27H22ClN3O3S MolecularWeight: 503.99988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3)NC(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)Cl)SC6=CC=CC=C6C2=O

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3)NC(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)Cl)SC6=CC=CC=C6C2=O

InChI

InChI=1S/C27H22ClN3O3S/c28-17-4-3-5-20(13-17)30-15-16(12-25(30)32)26(33)29-18-8-11-22-24(14-18)35-23-7-2-1-6-21(23)27(34)31(22)19-9-10-19/h1-8,11,13-14,16,19H,9-10,12,15H2,(H,29,33)