3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-sulfanylidene-propanoic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-thioxo-propanoic acid CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-sulfanylidenepropanoic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-sulfanylidenepropanoic acid Traditional Name: 3-[homoveratryl(methyl)amino]-3-thioxo-propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)CC(=O)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)CC(=O)O

InChI

InChI=1S/C14H19NO4S/c1-15(13(20)9-14(16)17)7-6-10-4-5-11(18-2)12(8-10)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)