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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C21H17NO3S MolecularWeight: 363.42958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO3S/c1-26-20-18(8-5-13-22-20)21(24)25-14-19(23)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13H,14H2,1H3