(4-methylsulfanylphenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [4-(methylthio)benzyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H16N2O3S2/c1-11-7-15(20)19-17(14(11)8-18)24-10-16(21)22-9-12-3-5-13(23-2)6-4-12/h3-7H,9-10H2,1-2H3,(H,19,20)