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

Systemtic Name: butyl (2S,4S)-2-(2-chlorophenyl)-3-(4-methylphenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)thiazolidine-4-carboxylate CAS Name: (2S,4S)-2-(2-chlorophenyl)-3-[(4-methylphenyl)-oxomethyl]-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-2-(2-chlorophenyl)-3-p-toluoyl-thiazolidine-4-carboxylic acid butyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClNO3S/c1-3-4-13-27-22(26)19-14-28-21(17-7-5-6-8-18(17)23)24(19)20(25)16-11-9-15(2)10-12-16/h5-12,19,21H,3-4,13-14H2,1-2H3/t19-,21+/m1/s1