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

Systemtic Name: ethyl 4-fluoranyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(1-methyltetrazol-5-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C14H13FN4O2S2 MolecularWeight: 352.407023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=NN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=NN3C

InChI

InChI=1S/C14H13FN4O2S2/c1-3-21-13(20)12-8(7-22-14-16-17-18-19(14)2)11-9(15)5-4-6-10(11)23-12/h4-6H,3,7H2,1-2H3