[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15-8-10-18(11-9-15)19-14-28-22(23-19)24-20(25)13-27-21(26)12-16(2)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3,(H,23,24,25)/t16-/m0/s1