2-methylpropyl (2S,4S)-3-(3-chlorophenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl (2S,4S)-3-(3-chlorophenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl (2S,4S)-3-(3-chlorobenzoyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: (2S,4S)-3-[(3-chlorophenyl)-oxomethyl]-2-phenyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S,4S)-3-(3-chlorobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-3-(3-chlorobenzoyl)-2-phenyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO3S/c1-14(2)12-26-21(25)18-13-27-20(15-7-4-3-5-8-15)23(18)19(24)16-9-6-10-17(22)11-16/h3-11,14,18,20H,12-13H2,1-2H3/t18-,20+/m1/s1