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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C16H18FNO3S MolecularWeight: 323.382423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

InChI

InChI=1S/C16H18FNO3S/c1-4-16(2,3)18-14(19)9-21-15(20)13-8-10-11(17)6-5-7-12(10)22-13/h5-8H,4,9H2,1-3H3,(H,18,19)