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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (2R)-2-phenylbutanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic 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-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-3-14(13-7-5-4-6-8-13)18(22)23-10-16(21)15(9-19)17-20-12(2)11-24-17/h4-8,11,14-15H,3,10H2,1-2H3/t14-,15+/m1/s1