ethyl 5-azanyl-4-cyano-3-[2-(2-fluorophenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-fluorophenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-fluorophenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[(2-fluorophenyl)thio]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-fluorophenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(2-fluorophenyl)thio]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H15FN2O4S2 MolecularWeight: 394.440403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C17H15FN2O4S2/c1-2-23-17(22)15-11(10(7-19)16(20)26-15)8-24-14(21)9-25-13-6-4-3-5-12(13)18/h3-6H,2,8-9,20H2,1H3