4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 4-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]but-2-ynyl ester IUPAC Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]but-2-ynyl ester Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H16N4O5S/c1-29-19-11-5-3-9-17(19)26-22(23-24-25-26)32-13-7-6-12-30-20(27)16-14-15-8-2-4-10-18(15)31-21(16)28/h2-5,8-11,14H,12-13H2,1H3