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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H20FNO4S/c1-3-13-7-4-5-9-16(13)23-18(24)12-27-21(25)20-14(11-26-2)19-15(22)8-6-10-17(19)28-20/h4-10H,3,11-12H2,1-2H3,(H,23,24)