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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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