[1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H22N2O4S/c1-16(29-23(27)20-9-6-14-24-22(20)30-2)21(26)25-18-10-12-19(13-11-18)28-15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3,(H,25,26)