[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H16FN3O6S MolecularWeight: 445.420943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H16FN3O6S/c21-13-1-3-14(4-2-13)23(8-7-18(22)25)19(26)11-30-20(27)17-10-12-9-15(24(28)29)5-6-16(12)31-17/h1-6,9-10H,7-8,11H2,(H2,22,25)