methyl 2-[1-(diethylamino)-2-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6-fluoranyl-1-(phenylmethyl)-2H-pyridine-5-carboxylate

Systemtic Name: methyl 2-[1-(diethylamino)-2-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6-fluoranyl-1-(phenylmethyl)-2H-pyridine-5-carboxylate Openeye Name: methyl 1-benzyl-2-[1-(diethylcarbamoyl)-1-methylsulfanyl-propyl]-6-fluoro-2H-pyridine-5-carboxylate CAS Name: 2-[1-(diethylamino)-2-(methylthio)-1-oxobutan-2-yl]-6-fluoro-1-(phenylmethyl)-2H-pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-2-[1-(diethylamino)-2-methylsulfanyl-1-oxobutan-2-yl]-6-fluoro-2H-pyridine-5-carboxylate Traditional Name: 1-benzyl-2-[1-(diethylcarbamoyl)-1-(methylthio)propyl]-6-fluoro-2H-pyridine-5-carboxylic acid methyl ester Formula: C23H31FN2O3S MolecularWeight: 434.567243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C=CC(=C(N1CC2=CC=CC=C2)F)C(=O)OC)(C(=O)N(CC)CC)SC

Isomeric SMILES

CCC(C1C=CC(=C(N1CC2=CC=CC=C2)F)C(=O)OC)(C(=O)N(CC)CC)SC

InChI

InChI=1S/C23H31FN2O3S/c1-6-23(30-5,22(28)25(7-2)8-3)19-15-14-18(21(27)29-4)20(24)26(19)16-17-12-10-9-11-13-17/h9-15,19H,6-8,16H2,1-5H3