[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5S/c1-29-22(27)17-11-9-16(10-12-17)14-25-20(26)15-30-23(28)19-8-5-13-24-21(19)31-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,26)