1-[2-chloranyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-chloranyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[2-chloro-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]pyrrolidin-2-one CAS Name: 1-[2-chloro-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-chloro-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]pyrrolidin-2-one Traditional Name: 1-[2-chloro-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-pyrrolidone Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

InChI

InChI=1S/C21H21ClN2O2S/c1-14-10-12-24(17-5-2-3-6-19(17)27-14)21(26)15-8-9-16(22)18(13-15)23-11-4-7-20(23)25/h2-3,5-6,8-9,13-14H,4,7,10-12H2,1H3