3,4,5-trimethoxy-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[3-(2-pyridylsulfanyl)propanoylamino]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 3,4,5-trimethoxy-2-[3-(2-pyridylthio)propanoylamino]benzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)NC(=O)CCSC2=CC=CC=N2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)NC(=O)CCSC2=CC=CC=N2)OC)OC

InChI

InChI=1S/C18H20N2O6S/c1-24-12-10-11(18(22)23)15(17(26-3)16(12)25-2)20-13(21)7-9-27-14-6-4-5-8-19-14/h4-6,8,10H,7,9H2,1-3H3,(H,20,21)(H,22,23)