methyl 2-azanyl-3-[(phenylmethylsulfanyl)methylsulfanyl]propanoate hydrochloride

Systemtic Name: methyl 2-azanyl-3-[(phenylmethylsulfanyl)methylsulfanyl]propanoate hydrochloride Openeye Name: methyl 2-amino-3-(benzylsulfanylmethylsulfanyl)propanoate hydrochloride CAS Name: 2-amino-3-[(phenylmethylthio)methylthio]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-3-(benzylsulfanylmethylsulfanyl)propanoate hydrochloride Traditional Name: 2-amino-3-[(benzylthio)methylthio]propionic acid methyl ester hydrochloride Formula: C12H18ClNO2S2 MolecularWeight: 307.85982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCSCC1=CC=CC=C1)N.Cl

Isomeric SMILES

COC(=O)C(CSCSCC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C12H17NO2S2.ClH/c1-15-12(14)11(13)8-17-9-16-7-10-5-3-2-4-6-10;/h2-6,11H,7-9,13H2,1H3;1H