[(1R)-1-cyanoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1CSC2=NCCS2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1CSC2=NCCS2

InChI

InChI=1S/C14H14N2O2S2/c1-10(8-15)18-13(17)12-5-3-2-4-11(12)9-20-14-16-6-7-19-14/h2-5,10H,6-7,9H2,1H3/t10-/m1/s1