(2R,3R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R)-2-(4-chlorophenyl)-1-isopropyl-5-oxo-3-(p-tolylsulfanyl)pyrrolidine-3-carboxylic acid CAS Name: (2R,3R)-2-(4-chlorophenyl)-3-[(4-methylphenyl)thio]-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid Traditional Name: (2R,3R)-2-(4-chlorophenyl)-1-isopropyl-5-keto-3-(p-tolylthio)pyrrolidine-3-carboxylic acid Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(CC(=O)N(C2C3=CC=C(C=C3)Cl)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2(CC(=O)N([C@@H]2C3=CC=C(C=C3)Cl)C(C)C)C(=O)O

InChI

InChI=1S/C21H22ClNO3S/c1-13(2)23-18(24)12-21(20(25)26,27-17-10-4-14(3)5-11-17)19(23)15-6-8-16(22)9-7-15/h4-11,13,19H,12H2,1-3H3,(H,25,26)/t19-,21-/m1/s1