(4R)-4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoic acid

Systemtic Name: (4R)-4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoic acid Openeye Name: (4R)-4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoic acid CAS Name: (4R)-4-(benzenecarbonothioylthio)-4-cyanopentanoic acid IUPAC Name: (4R)-4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid Traditional Name: (4R)-4-(benzenecarbonothioylthio)-4-cyano-valeric acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1

Isomeric SMILES

C[C@@](CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)/t13-/m1/s1