[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H16N2O5/c1-12-7-9-14(10-8-12)20-23-22-19(28-20)13(2)26-21(25)18-11-16(24)15-5-3-4-6-17(15)27-18/h3-11,13H,1-2H3/t13-/m0/s1