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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3S/c1-3-15-9-11-16(12-10-15)19(23)14(2)25-21(24)18-13-26-20(22-18)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3/t14-/m0/s1