ethyl 3-(2-benzamidoethanoyloxymethyl)-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(2-benzamidoethanoyloxymethyl)-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(2-benzamidoacetyl)oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(2-benzamido-1-oxoethoxy)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-benzamidoacetyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(hippuroyloxymethyl)benzothiophene-2-carboxylic acid ethyl ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO5S/c1-2-27-21(26)19-14(18-15(22)9-6-10-16(18)29-19)12-28-17(24)11-23-20(25)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,23,25)