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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic 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] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S2/c1-12-11-27-19(21-12)15(9-20)17(23)10-25-18(24)8-7-16(22)13-3-5-14(26-2)6-4-13/h3-6,11,15H,7-8,10H2,1-2H3/t15-/m1/s1