methyl 3-(2-sulfanylideneazepan-1-yl)propanoate

Systemtic Name: methyl 3-(2-sulfanylideneazepan-1-yl)propanoate Openeye Name: methyl 3-(2-thioxoazepan-1-yl)propanoate CAS Name: 3-(2-sulfanylidene-1-azepanyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-sulfanylideneazepan-1-yl)propanoate Traditional Name: 3-(2-thioxoazepan-1-yl)propionic acid methyl ester Formula: C10H17NO2S MolecularWeight: 215.31248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCCCCC1=S

Isomeric SMILES

COC(=O)CCN1CCCCCC1=S

InChI

InChI=1S/C10H17NO2S/c1-13-10(12)6-8-11-7-4-2-3-5-9(11)14/h2-8H2,1H3