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

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 4-[[5-(2-bromophenyl)-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-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H13BrN2O5S MolecularWeight: 497.31802

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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=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C22H13BrN2O5S/c23-17-9-3-2-8-15(17)19-24-25-22(30-19)31-12-6-5-11-28-20(26)16-13-14-7-1-4-10-18(14)29-21(16)27/h1-4,7-10,13H,11-12H2