(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H15NO4S/c1-20-16(19)13(11-7-4-3-5-8-11)21-15(18)12-9-6-10-17-14(12)22-2/h3-10,13H,1-2H3