[3-[5-[3-(2-cyanoethylsulfinyl)phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl] ethanoate

Systemtic Name: [3-[5-[3-(2-cyanoethylsulfinyl)phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl] ethanoate Openeye Name: [3-[5-[3-(2-cyanoethylsulfinyl)phenyl]-1-methyl-4-oxo-3-pyridyl]phenyl] acetate CAS Name: acetic acid [3-[5-[3-(2-cyanoethylsulfinyl)phenyl]-1-methyl-4-oxo-3-pyridinyl]phenyl] ester IUPAC Name: [3-[5-[3-(2-cyanoethylsulfinyl)phenyl]-1-methyl-4-oxopyridin-3-yl]phenyl] acetate Traditional Name: acetic acid [3-[5-[3-(2-cyanoethylsulfinyl)phenyl]-4-keto-1-methyl-3-pyridyl]phenyl] ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)CCC#N)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)CCC#N)C

InChI

InChI=1S/C23H20N2O4S/c1-16(26)29-19-8-3-6-17(12-19)21-14-25(2)15-22(23(21)27)18-7-4-9-20(13-18)30(28)11-5-10-24/h3-4,6-9,12-15H,5,11H2,1-2H3