(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C19H15F2NO4S MolecularWeight: 391.388506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC(F)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC(F)F)C

InChI

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