(2-oxidanylidene-1,2-diphenyl-ethyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid desyl ester Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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