4-cyano-4-(diethylcarbamothioylsulfanyl)pentanoic acid

Systemtic Name: 4-cyano-4-(diethylcarbamothioylsulfanyl)pentanoic acid Openeye Name: 4-cyano-4-(diethylcarbamothioylsulfanyl)pentanoic acid CAS Name: 4-cyano-4-[[diethylamino(sulfanylidene)methyl]thio]pentanoic acid IUPAC Name: 4-cyano-4-(diethylcarbamothioylsulfanyl)pentanoic acid Traditional Name: 4-cyano-4-(diethylthiocarbamoylthio)valeric acid Formula: C11H18N2O2S2 MolecularWeight: 274.40282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O2S2/c1-4-13(5-2)10(16)17-11(3,8-12)7-6-9(14)15/h4-7H2,1-3H3,(H,14,15)