(2S)-2-azaniumyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(4-methoxyphenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-(p-anisylthio)propionate Formula: C11H15NO3S MolecularWeight: 241.3067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H15NO3S/c1-15-9-4-2-8(3-5-9)6-16-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m1/s1