[2-oxidanylidene-2-(phenethylamino)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H20FNO4S/c1-26-12-15-19-16(22)8-5-9-17(19)28-20(15)21(25)27-13-18(24)23-11-10-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H,23,24)