(3-cyanophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (3-cyanophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (3-cyanobenzyl) ester Formula: C17H12N2O2S2 MolecularWeight: 340.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O2S2/c18-9-12-4-3-5-13(8-12)10-21-16(20)11-22-17-19-14-6-1-2-7-15(14)23-17/h1-8H,10-11H2