[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H10FN3O5S MolecularWeight: 399.352503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C18H10FN3O5S/c19-12-1-4-15-10(5-12)7-16(28-15)18(24)27-9-17(23)21-14-3-2-13(22(25)26)6-11(14)8-20/h1-7H,9H2,(H,21,23)