(phenylmethyl) [5-cyano-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methylsulfanylmethanoate

Systemtic Name: (phenylmethyl) [5-cyano-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methylsulfanylmethanoate Openeye Name: benzyl [5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methylsulfanylformate CAS Name: [[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methylthio]formic acid (phenylmethyl) ester IUPAC Name: benzyl [5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methylsulfanylformate Traditional Name: [[5-cyano-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]methylthio]formic acid benzyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)CSC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)CSC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-27-17-9-7-16(8-10-17)18-11-21(25)24-20(19(18)12-23)14-29-22(26)28-13-15-5-3-2-4-6-15/h2-10,18H,11,13-14H2,1H3,(H,24,25)