[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H15FN2O4S MolecularWeight: 362.375403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC)/N

InChI

InChI=1S/C17H15FN2O4S/c1-9(20)10(6-19)13(21)8-24-17(22)16-11(7-23-2)15-12(18)4-3-5-14(15)25-16/h3-5H,7-8,20H2,1-2H3/b10-9+