[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H18N2O4S/c1-22-13-6-3-5-12(9-13)10-19-15(20)11-23-17(21)14-7-4-8-18-16(14)24-2/h3-9H,10-11H2,1-2H3,(H,19,20)