5-(2-pyridin-2-ylsulfanylethanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-pyridin-2-ylsulfanylethanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2-pyridylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(2-pyridylthio)acetyl]amino]isophthalic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12N2O5S/c18-12(8-23-13-3-1-2-4-16-13)17-11-6-9(14(19)20)5-10(7-11)15(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)