[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S/c1-29-22-20(13-8-14-24-22)23(27)28-17-21(26)25(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-14H,15-17H2,1H3