[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H17FN2O4S MolecularWeight: 352.380583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)F

Isomeric SMILES

CC(C)NC(=O)CNC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C16H17FN2O4S/c1-9(2)19-14(20)7-18-15(21)8-23-16(22)13-6-10-5-11(17)3-4-12(10)24-13/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20)