2-(azepan-1-ylcarbothioylsulfanyl)ethanoate

Systemtic Name: 2-(azepan-1-ylcarbothioylsulfanyl)ethanoate Openeye Name: 2-(azepane-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]thio]acetate IUPAC Name: 2-(azepane-1-carbothioylsulfanyl)acetate Traditional Name: 2-(azepane-1-carbothioylthio)acetate Formula: C9H14NO2S2- MolecularWeight: 232.34296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)SCC(=O)[O-]

InChI

InChI=1S/C9H15NO2S2/c11-8(12)7-14-9(13)10-5-3-1-2-4-6-10/h1-7H2,(H,11,12)/p-1