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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCCSC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCCSC2=NC3=CC=CC=C3S2)C#N

InChI

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