2-(azepan-1-ylcarbothioylsulfanyl)-2-methyl-propanoic acid

Systemtic Name: 2-(azepan-1-ylcarbothioylsulfanyl)-2-methyl-propanoic acid Openeye Name: 2-(azepane-1-carbothioylsulfanyl)-2-methyl-propanoic acid CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]thio]-2-methylpropanoic acid IUPAC Name: 2-(azepane-1-carbothioylsulfanyl)-2-methylpropanoic acid Traditional Name: 2-(azepane-1-carbothioylthio)-2-methyl-propionic acid Formula: C11H19NO2S2 MolecularWeight: 261.40406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC(=S)N1CCCCCC1

Isomeric SMILES

CC(C)(C(=O)O)SC(=S)N1CCCCCC1

InChI

InChI=1S/C11H19NO2S2/c1-11(2,9(13)14)16-10(15)12-7-5-3-4-6-8-12/h3-8H2,1-2H3,(H,13,14)