ethyl 4-fluoranyl-3-[2-[(2-methylphenyl)carbonylamino]ethanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[2-[(2-methylphenyl)carbonylamino]ethanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[2-[(2-methylbenzoyl)amino]acetyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[2-[(2-methylbenzoyl)amino]acetyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[2-(o-toluoylamino)acetyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CNC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CNC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H20FNO5S/c1-3-28-22(27)20-15(19-16(23)9-6-10-17(19)30-20)12-29-18(25)11-24-21(26)14-8-5-4-7-13(14)2/h4-10H,3,11-12H2,1-2H3,(H,24,26)