ethyl 3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(3,4-difluorophenyl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(3,4-difluorophenyl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3,4-difluorophenyl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(3,4-difluorophenyl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H13F3O2S2 MolecularWeight: 382.41983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H13F3O2S2/c1-2-23-18(22)17-11(16-13(20)4-3-5-15(16)25-17)9-24-10-6-7-12(19)14(21)8-10/h3-8H,2,9H2,1H3