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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H12ClF2NO4S MolecularWeight: 411.806986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)SC(F)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)SC(F)F)Cl

InChI

InChI=1S/C18H12ClF2NO4S/c1-9-5-14-12(7-13(9)19)10(6-15(23)26-14)8-25-17(24)11-3-2-4-22-16(11)27-18(20)21/h2-7,18H,8H2,1H3