2-[carboxymethylsulfanyl-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[(carboxymethylthio)-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]methyl]thio]acetic acid Formula: C21H18ClNO5S2 MolecularWeight: 463.95432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(SCC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C21H18ClNO5S2/c22-15-6-4-13-5-7-16(23-18(13)9-15)10-28-17-3-1-2-14(8-17)21(29-11-19(24)25)30-12-20(26)27/h1-9,21H,10-12H2,(H,24,25)(H,26,27)