methyl 2-(azepan-1-ylcarbothioylsulfanyl)ethanoate

Systemtic Name: methyl 2-(azepan-1-ylcarbothioylsulfanyl)ethanoate Openeye Name: methyl 2-(azepane-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(azepane-1-carbothioylsulfanyl)acetate Traditional Name: 2-(azepane-1-carbothioylthio)acetic acid methyl ester Formula: C10H17NO2S2 MolecularWeight: 247.37748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=S)N1CCCCCC1

Isomeric SMILES

COC(=O)CSC(=S)N1CCCCCC1

InChI

InChI=1S/C10H17NO2S2/c1-13-9(12)8-15-10(14)11-6-4-2-3-5-7-11/h2-8H2,1H3