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

Systemtic Name: ethyl 4-fluoranyl-3-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C18H14FN3O3S2 MolecularWeight: 403.450463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=C4C=CC=N4)O3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=C4C=CC=N4)O3

InChI

InChI=1S/C18H14FN3O3S2/c1-2-24-17(23)15-10(14-11(19)5-3-7-13(14)27-15)9-26-18-22-21-16(25-18)12-6-4-8-20-12/h3-8,21H,2,9H2,1H3