[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-29-21-19(8-5-13-23-21)22(26)28-15-20(25)24-17-9-11-18(12-10-17)27-14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,25)