2-[carboxymethylsulfanyl-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylacetic acid Traditional Name: 2-[[(carboxymethylthio)-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methyl]thio]acetic acid Formula: C22H16ClNO5S2 MolecularWeight: 473.94914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)C3=CC4=C(O3)C=CC(=C4)C(SCC(=O)O)SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)C3=CC4=C(O3)C=CC(=C4)C(SCC(=O)O)SCC(=O)O)Cl

InChI

InChI=1S/C22H16ClNO5S2/c23-15-4-1-12-2-5-16(24-17(12)9-15)19-8-14-7-13(3-6-18(14)29-19)22(30-10-20(25)26)31-11-21(27)28/h1-9,22H,10-11H2,(H,25,26)(H,27,28)