4,5-dimethoxy-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 2-[(2-isopropylsulfanylacetyl)amino]-4,5-dimethoxy-benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 2-[[2-(isopropylthio)acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC

Isomeric SMILES

CC(C)SCC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC

InChI

InChI=1S/C14H19NO5S/c1-8(2)21-7-13(16)15-10-6-12(20-4)11(19-3)5-9(10)14(17)18/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,18)