3-[2-carboxyethylsulfanyl-[3-(quinolin-2-ylcarbonylamino)phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[3-(quinolin-2-ylcarbonylamino)phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[3-(quinoline-2-carbonylamino)phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[3-[[oxo(2-quinolinyl)methyl]amino]phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[3-(quinoline-2-carbonylamino)phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[3-(quinaldoylamino)phenyl]methyl]thio]propionic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC(=C3)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC(=C3)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H22N2O5S2/c26-20(27)10-12-31-23(32-13-11-21(28)29)16-5-3-6-17(14-16)24-22(30)19-9-8-15-4-1-2-7-18(15)25-19/h1-9,14,23H,10-13H2,(H,24,30)(H,26,27)(H,28,29)