ethyl 3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[1-(o-tolyl)tetrazol-5-yl]thio]methyl]coumarilic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=CC=CC=C4C

InChI

InChI=1S/C20H18N4O3S/c1-3-26-19(25)18-15(14-9-5-7-11-17(14)27-18)12-28-20-21-22-23-24(20)16-10-6-4-8-13(16)2/h4-11H,3,12H2,1-2H3