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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H18N2O4S/c1-14-6-8-16(9-7-14)27-19-17(5-2-10-21-19)20(24)26-13-18(23)22-12-15-4-3-11-25-15/h2-11H,12-13H2,1H3,(H,22,23)