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

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic 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-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H14BrFN2O4S MolecularWeight: 429.260763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=CC=C(S2)Br)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=CC=C(S2)Br)F

InChI

InChI=1S/C16H14BrFN2O4S/c17-13-6-5-12(25-13)16(23)24-9-15(22)20(8-7-14(19)21)11-3-1-10(18)2-4-11/h1-6H,7-9H2,(H2,19,21)