ethyl 4-fluoranyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(1-methyl-2-imidazolyl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(1-methylimidazol-2-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C16H15FN2O2S2 MolecularWeight: 350.430903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=CN3C

InChI

InChI=1S/C16H15FN2O2S2/c1-3-21-15(20)14-10(9-22-16-18-7-8-19(16)2)13-11(17)5-4-6-12(13)23-14/h4-8H,3,9H2,1-2H3