[2-oxidanylidene-2-(pentylamino)ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C16H17ClFNO3S MolecularWeight: 357.827483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

InChI

InChI=1S/C16H17ClFNO3S/c1-2-3-4-7-19-13(20)9-22-16(21)15-14(17)11-6-5-10(18)8-12(11)23-15/h5-6,8H,2-4,7,9H2,1H3,(H,19,20)