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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C18H13F2NO5S MolecularWeight: 393.361326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(N=CC=C3)SC(F)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(N=CC=C3)SC(F)F)O

InChI

InChI=1S/C18H13F2NO5S/c1-9-13(22)5-4-11-10(7-14(23)26-15(9)11)8-25-17(24)12-3-2-6-21-16(12)27-18(19)20/h2-7,18,22H,8H2,1H3