(4-phenylmethoxyphenyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-phenylmethoxyphenyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-benzyloxyphenyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-benzoxyphenyl) ester Formula: C20H17NO3S MolecularWeight: 351.41888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17NO3S/c1-25-19-18(8-5-13-21-19)20(22)24-17-11-9-16(10-12-17)23-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3