[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 6-methoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 6-methoxypyridine-3-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 6-methoxypyridine-3-carboxylate CAS Name: 6-methoxy-3-pyridinecarboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 6-methoxypyridine-3-carboxylate Traditional Name: 6-methoxynicotinic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C18H18N2O4S/c1-3-10-25-15-7-5-4-6-14(15)20-16(21)12-24-18(22)13-8-9-17(23-2)19-11-13/h3-9,11H,1,10,12H2,2H3,(H,20,21)