ethyl 2-[2-[1-(4-methylphenyl)propylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-(4-methylphenyl)propylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[2-oxo-2-[1-(p-tolyl)propylamino]ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-[1-(p-tolyl)propylamino]ethyl]thio]nicotinic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=C(C=CC=N2)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=C(C=CC=N2)C(=O)OCC

InChI

InChI=1S/C20H24N2O3S/c1-4-17(15-10-8-14(3)9-11-15)22-18(23)13-26-19-16(7-6-12-21-19)20(24)25-5-2/h6-12,17H,4-5,13H2,1-3H3,(H,22,23)