ethyl 4-phenylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-phenylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 4-phenylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-(phenylthio)-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-(phenylthio)-2,6-bis(trifluoromethyl)nicotinic acid ethyl ester Formula: C16H11F6NO2S MolecularWeight: 395.319459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1SC2=CC=CC=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1SC2=CC=CC=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO2S/c1-2-25-14(24)12-10(26-9-6-4-3-5-7-9)8-11(15(17,18)19)23-13(12)16(20,21)22/h3-8H,2H2,1H3