methyl 2-azanyl-3-(3-phenylpropylsulfanyl)propanoate

Systemtic Name: methyl 2-azanyl-3-(3-phenylpropylsulfanyl)propanoate Openeye Name: methyl 2-amino-3-(3-phenylpropylsulfanyl)propanoate CAS Name: 2-amino-3-(3-phenylpropylthio)propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(3-phenylpropylsulfanyl)propanoate Traditional Name: 2-amino-3-(3-phenylpropylthio)propionic acid methyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCCCC1=CC=CC=C1)N

Isomeric SMILES

COC(=O)C(CSCCCC1=CC=CC=C1)N

InChI

InChI=1S/C13H19NO2S/c1-16-13(15)12(14)10-17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3