[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CSC(=N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CSC(=N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H17ClN2O3S/c1-3-7-18-14(20)10(2)22-16(21)13-9-23-15(19-13)11-5-4-6-12(17)8-11/h4-6,8-10H,3,7H2,1-2H3,(H,18,20)/t10-/m0/s1