2-azanyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2,5-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2,5-dimethoxybenzyl)thio]propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSCC(C(=O)O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSCC(C(=O)O)N

InChI

InChI=1S/C12H17NO4S/c1-16-9-3-4-11(17-2)8(5-9)6-18-7-10(13)12(14)15/h3-5,10H,6-7,13H2,1-2H3,(H,14,15)