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

Systemtic Name: ethyl 3-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]coumarilic acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C(OC4=CC=CC=C43)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=C(OC4=CC=CC=C43)C(=O)OCC

InChI

InChI=1S/C21H20N4O4S/c1-3-27-18-12-8-6-10-16(18)25-21(22-23-24-25)30-13-15-14-9-5-7-11-17(14)29-19(15)20(26)28-4-2/h5-12H,3-4,13H2,1-2H3