(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C16H13F2N3O4S2 MolecularWeight: 413.418926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C16H13F2N3O4S2/c1-2-24-15(23)11-10(9(6-19)12(20)26-11)7-25-14(22)8-4-3-5-21-13(8)27-16(17)18/h3-5,16H,2,7,20H2,1H3