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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H24ClN3O3S/c1-17-20(28)8-6-9-21(17)29-25(32)16-31-22-15-18(26(33)30-13-4-5-14-30)11-12-24(22)35-23-10-3-2-7-19(23)27(31)34/h2-3,6-12,15H,4-5,13-14,16H2,1H3,(H,29,32)