(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C19H15F2NO4S MolecularWeight: 391.388506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C19H15F2NO4S/c1-2-11-5-6-13-12(9-16(23)26-15(13)8-11)10-25-18(24)14-4-3-7-22-17(14)27-19(20)21/h3-9,19H,2,10H2,1H3