(3-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (3-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (3-cyanobenzyl) ester Formula: C19H16N2O2S2 MolecularWeight: 368.47254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16N2O2S2/c20-12-14-5-3-6-15(11-14)13-23-18(22)9-4-10-24-19-21-16-7-1-2-8-17(16)25-19/h1-3,5-8,11H,4,9-10,13H2