3-[(4-acetamidophenyl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 3-[(4-acetamidophenyl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: 3-[(4-acetamidophenyl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4-acetamidophenyl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylate IUPAC Name: 3-[(4-acetamidophenyl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(4-acetamidophenyl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylate Formula: C18H13FNO3S2- MolecularWeight: 374.429123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)[O-]

InChI

InChI=1S/C18H14FNO3S2/c1-10(21)20-11-5-7-12(8-6-11)24-9-13-16-14(19)3-2-4-15(16)25-17(13)18(22)23/h2-8H,9H2,1H3,(H,20,21)(H,22,23)/p-1