[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H18FNO4S/c1-13(24)23-10-9-14-5-7-15(8-6-14)18(25)12-27-21(26)20-11-16-17(22)3-2-4-19(16)28-20/h2-8,11H,9-10,12H2,1H3,(H,23,24)