tert-butyl (2S,4S)-2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (2S,4S)-2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)thiazolidine-3-carboxylate CAS Name: (2S,4S)-2-(4-chlorophenyl)-4-[(cyclohexylamino)-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)-1,3-thiazolidine-3-carboxylate Traditional Name: (2S,4S)-2-(4-chlorophenyl)-4-(cyclohexylcarbamoyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CS[C@H]1C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H29ClN2O3S/c1-21(2,3)27-20(26)24-17(18(25)23-16-7-5-4-6-8-16)13-28-19(24)14-9-11-15(22)12-10-14/h9-12,16-17,19H,4-8,13H2,1-3H3,(H,23,25)/t17-,19+/m1/s1