(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC4=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O3S/c25-22(26-13-19-23-24-21(27-19)15-7-2-1-3-8-15)18-12-16-11-10-14-6-4-5-9-17(14)20(16)28-18/h1-9,12H,10-11,13H2