ethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]nicotinic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C17H18N2O3S/c1-3-22-17(21)14-5-4-10-18-16(14)23-11-15(20)19-13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,19,20)