[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-phenoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-phenoxypyridine-3-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-2-15-30-20-13-7-6-12-19(20)25-21(26)16-28-23(27)18-11-8-14-24-22(18)29-17-9-4-3-5-10-17/h2-14H,1,15-16H2,(H,25,26)