ethyl 4-fluoranyl-3-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17FN2O3S2 MolecularWeight: 428.499683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(O3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(O3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17FN2O3S2/c1-2-26-20(25)19-14(18-15(22)9-6-10-16(18)29-19)12-28-21-24-23-17(27-21)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3