[(1R)-1-cyanoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C18H14N2O2S2 MolecularWeight: 354.44596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2O2S2/c1-12(10-19)22-17(21)14-7-3-2-6-13(14)11-23-18-20-15-8-4-5-9-16(15)24-18/h2-9,12H,11H2,1H3/t12-/m1/s1