2-(1-cyanoethylsulfanylmethyl)benzoic acid

Systemtic Name: 2-(1-cyanoethylsulfanylmethyl)benzoic acid Openeye Name: 2-(1-cyanoethylsulfanylmethyl)benzoic acid CAS Name: 2-[(1-cyanoethylthio)methyl]benzoic acid IUPAC Name: 2-(1-cyanoethylsulfanylmethyl)benzoic acid Traditional Name: 2-[(1-cyanoethylthio)methyl]benzoic acid Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SCC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C#N)SCC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H11NO2S/c1-8(6-12)15-7-9-4-2-3-5-10(9)11(13)14/h2-5,8H,7H2,1H3,(H,13,14)