methyl 3-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylethanoylamino)propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylethanoylamino)propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylacetyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[2-(methylthio)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylacetyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[2-(methylthio)acetyl]amino]propionic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CSC)OC

InChI

InChI=1S/C15H21NO5S/c1-19-12-6-5-10(7-13(12)20-2)11(8-15(18)21-3)16-14(17)9-22-4/h5-7,11H,8-9H2,1-4H3,(H,16,17)