2-azanyl-3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)allyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)allyl]thio]propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CCSCC(C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/CSCC(C(=O)O)N

InChI

InChI=1S/C14H19NO5S/c1-19-11-6-9(7-12(20-2)13(11)16)4-3-5-21-8-10(15)14(17)18/h3-4,6-7,10,16H,5,8,15H2,1-2H3,(H,17,18)/b4-3+