4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethyl-pentanoic acid

Systemtic Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethyl-pentanoic acid Openeye Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethyl-pentanoic acid CAS Name: 4-(benzenecarbonothioylthio)-4-cyano-2-ethylpentanoic acid IUPAC Name: 4-(benzenecarbonothioylsulfanyl)-4-cyano-2-ethylpentanoic acid Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-2-ethyl-valeric acid Formula: C15H17NO2S2 MolecularWeight: 307.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S2/c1-3-11(13(17)18)9-15(2,10-16)20-14(19)12-7-5-4-6-8-12/h4-8,11H,3,9H2,1-2H3,(H,17,18)