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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC(F)F

InChI

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