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

Systemtic Name: 4,5-dimethoxy-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Openeye Name: 4,5-dimethoxy-2-[3-(2-pyridylsulfanyl)propanoylamino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid Traditional Name: 4,5-dimethoxy-2-[3-(2-pyridylthio)propanoylamino]benzoic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-23-13-9-11(17(21)22)12(10-14(13)24-2)19-15(20)6-8-25-16-5-3-4-7-18-16/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,20)(H,21,22)