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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-3-15-9-11-17(12-10-15)22-19(24)14(2)26-21(25)18-13-27-20(23-18)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,22,24)/t14-/m0/s1