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

Systemtic Name: ethyl 3-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]coumarilic acid ethyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=NN3CC4=CC=CO4

InChI

InChI=1S/C18H16N4O4S/c1-2-24-17(23)16-14(13-7-3-4-8-15(13)26-16)11-27-18-19-20-21-22(18)10-12-6-5-9-25-12/h3-9H,2,10-11H2,1H3