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

Systemtic Name: 4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H16N2O5S/c26-21(18-15-17-10-4-5-11-19(17)29-22(18)27)28-12-6-7-13-31-23-25-24-20(30-23)14-16-8-2-1-3-9-16/h1-5,8-11,15H,12-14H2