[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O4S/c1-2-3-6-18-16(22)19-14(20)9-23-15(21)13-8-10-7-11(17)4-5-12(10)24-13/h4-5,7-8H,2-3,6,9H2,1H3,(H2,18,19,20,22)