cyanomethyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: cyanomethyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: cyanomethyl 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid cyanomethyl ester Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC#N

Isomeric SMILES

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC#N

InChI

InChI=1S/C13H12N2O2S2/c14-5-7-17-12(16)11-4-2-1-3-10(11)9-19-13-15-6-8-18-13/h1-4H,6-9H2