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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H16N2O3S2/c1-12-11-25-18(20-12)15(9-19)16(21)10-23-17(22)8-5-13-3-6-14(24-2)7-4-13/h3-8,11,15H,10H2,1-2H3/b8-5+/t15-/m1/s1