cyanomethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: cyanomethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: cyanomethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid cyanomethyl ester Formula: C17H12N2O2S2 MolecularWeight: 340.41938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)OCC#N

InChI

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