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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C24H18N2O7S MolecularWeight: 478.47392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C24H18N2O7S/c1-29-19-10-9-16(14-20(19)30-2)21-25-26-24(33-21)34-12-6-5-11-31-22(27)17-13-15-7-3-4-8-18(15)32-23(17)28/h3-4,7-10,13-14H,11-12H2,1-2H3