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

Systemtic Name: ethyl 5-bromanyl-3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]coumarilic acid ethyl ester Formula: C20H17BrN4O4S MolecularWeight: 489.34238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H17BrN4O4S/c1-3-28-19(26)18-16(15-10-12(21)4-9-17(15)29-18)11-30-20-22-23-24-25(20)13-5-7-14(27-2)8-6-13/h4-10H,3,11H2,1-2H3