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

Systemtic Name: ethyl 5-azanyl-3-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(difluoromethylsulfonyl)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H14F2N2O6S2 MolecularWeight: 444.429666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F2N2O6S2/c1-2-26-16(23)13-12(11(7-20)14(21)28-13)8-27-15(22)9-3-5-10(6-4-9)29(24,25)17(18)19/h3-6,17H,2,8,21H2,1H3