[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C18H18N2O3S2/c1-11-4-6-14(7-5-11)25-13(3)18(22)23-9-16(21)15(8-19)17-20-12(2)10-24-17/h4-7,10,13,15H,9H2,1-3H3/t13-,15+/m1/s1