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

Systemtic Name: ethyl 5-azanyl-3-[[3,5-bis(fluoranyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3,5-difluorobenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3,5-difluorophenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3,5-difluorobenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3,5-difluorobenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H12F2N2O4S MolecularWeight: 366.339286

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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(=C2)F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H12F2N2O4S/c1-2-23-16(22)13-12(11(6-19)14(20)25-13)7-24-15(21)8-3-9(17)5-10(18)4-8/h3-5H,2,7,20H2,1H3