5-(2-quinolin-8-ylsulfanylethanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-quinolin-8-ylsulfanylethanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(8-quinolylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-oxo-2-(8-quinolinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-quinolin-8-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(8-quinolylthio)acetyl]amino]isophthalic acid Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)N=CC=C2

InChI

InChI=1S/C19H14N2O5S/c22-16(10-27-15-5-1-3-11-4-2-6-20-17(11)15)21-14-8-12(18(23)24)7-13(9-14)19(25)26/h1-9H,10H2,(H,21,22)(H,23,24)(H,25,26)