(2S)-2-azaniumyl-3-phenylsulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-phenylsulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-phenylsulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-(phenylthio)propanoate IUPAC Name: (2S)-2-azaniumyl-3-phenylsulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-(phenylthio)propionate Formula: C9H11NO2S MolecularWeight: 197.25414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1