[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic 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] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-12-5-3-4-6-14(12)7-8-17(22)23-10-16(21)15(9-19)18-20-13(2)11-24-18/h3-8,11,15H,10H2,1-2H3/b8-7+/t15-/m0/s1