ethyl 6-methoxy-5-phenylsulfanyl-2,4-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-methoxy-5-phenylsulfanyl-2,4-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-methoxy-5-phenylsulfanyl-2,4-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-methoxy-5-(phenylthio)-2,4-bis(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-5-phenylsulfanyl-2,4-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-methoxy-5-(phenylthio)-2,4-bis(trifluoromethyl)nicotinic acid ethyl ester Formula: C17H13F6NO3S MolecularWeight: 425.345439

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C(F)(F)F)OC)SC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C(F)(F)F)OC)SC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H13F6NO3S/c1-3-27-15(25)10-11(16(18,19)20)12(28-9-7-5-4-6-8-9)14(26-2)24-13(10)17(21,22)23/h4-8H,3H2,1-2H3