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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-4-10-19-16(21)12(3)23-18(22)15-11-24-17(20-15)14-8-6-13(5-2)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,21)/t12-/m0/s1