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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3C4=C(C=CC(=C4)C)OC

InChI

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