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

Systemtic Name: methyl 4-[2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c1-11-7-15(21)20-17(14(11)8-19)26-10-16(22)25-9-12-3-5-13(6-4-12)18(23)24-2/h3-7H,9-10H2,1-2H3,(H,20,21)