7-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[(2R)-2-(p-tolyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[(2R)-2-(4-methylphenyl)-1-pyrrolidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[(2R)-2-(p-tolyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N2O2S/c1-14-4-6-15(7-5-14)18-3-2-11-23(18)21(25)16-8-9-19-17(13-16)22-20(24)10-12-26-19/h4-9,13,18H,2-3,10-12H2,1H3,(H,22,24)/t18-/m1/s1