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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[[5-(3-chlorophenyl)-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-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H13ClN2O5S MolecularWeight: 452.86702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H13ClN2O5S/c23-16-8-5-7-15(12-16)19-24-25-22(30-19)31-11-4-3-10-28-20(26)17-13-14-6-1-2-9-18(14)29-21(17)27/h1-2,5-9,12-13H,10-11H2