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

Systemtic Name: N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: N-(5-methyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-2-yl)-1-phenyl-pyrrolidine-3-carboxamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4)SC5=CC=CC=C5C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4)SC5=CC=CC=C5C1=O

InChI

InChI=1S/C25H21N3O3S/c1-27-20-12-11-17(14-22(20)32-21-10-6-5-9-19(21)25(27)31)26-24(30)16-13-23(29)28(15-16)18-7-3-2-4-8-18/h2-12,14,16H,13,15H2,1H3,(H,26,30)