[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C17H20FNO3S MolecularWeight: 337.409003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)C

InChI

InChI=1S/C17H20FNO3S/c1-5-17(3,4)19-13(20)9-22-16(21)15-10(2)14-11(18)7-6-8-12(14)23-15/h6-8H,5,9H2,1-4H3,(H,19,20)