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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO3S/c1-2-3-12-26-21(25)18-14-27-20(15-8-5-4-6-9-15)23(18)19(24)16-10-7-11-17(22)13-16/h4-11,13,18,20H,2-3,12,14H2,1H3/t18-,20+/m1/s1