[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H15FN2O5S MolecularWeight: 402.396203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H15FN2O5S/c20-14-3-1-12(2-4-14)7-8-21-18(23)11-27-19(24)17-10-13-9-15(22(25)26)5-6-16(13)28-17/h1-6,9-10H,7-8,11H2,(H,21,23)