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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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