ethyl 5-azanyl-3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(difluoromethylsulfanyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-(difluoromethylthio)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(difluoromethylsulfanyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(difluoromethylthio)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H14F2N2O4S2 MolecularWeight: 412.430866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2SC(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2SC(F)F

InChI

InChI=1S/C17H14F2N2O4S2/c1-2-24-16(23)13-11(10(7-20)14(21)27-13)8-25-15(22)9-5-3-4-6-12(9)26-17(18)19/h3-6,17H,2,8,21H2,1H3