5-cyano-3-ethoxycarbonyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-2-olate

Systemtic Name: 5-cyano-3-ethoxycarbonyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-2-olate Openeye Name: 5-cyano-3-ethoxycarbonyl-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridin-2-olate CAS Name: 5-cyano-3-ethoxycarbonyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-2-pyridinolate IUPAC Name: 5-cyano-3-ethoxycarbonyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridin-2-olate Traditional Name: 3-carbethoxy-5-cyano-6-[[2-keto-2-(p-tolyl)ethyl]thio]pyridin-2-olate Formula: C18H15N2O4S- MolecularWeight: 355.3877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=C(C=C2)C)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=C(C=C2)C)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-3-24-18(23)14-8-13(9-19)17(20-16(14)22)25-10-15(21)12-6-4-11(2)5-7-12/h4-8H,3,10H2,1-2H3,(H,20,22)/p-1