3-[2-carboxyethylsulfanyl-[3-[(7-fluoranylquinolin-2-yl)methylsulfanyl]phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[3-[(7-fluoranylquinolin-2-yl)methylsulfanyl]phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[3-[(7-fluoro-2-quinolyl)methylsulfanyl]phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[3-[(7-fluoro-2-quinolinyl)methylthio]phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[3-[(7-fluoroquinolin-2-yl)methylsulfanyl]phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[3-[(7-fluoro-2-quinolyl)methylthio]phenyl]methyl]thio]propionic acid Formula: C23H22FNO4S3 MolecularWeight: 491.618483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=NC3=C(C=CC(=C3)F)C=C2)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=NC3=C(C=CC(=C3)F)C=C2)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H22FNO4S3/c24-17-6-4-15-5-7-18(25-20(15)13-17)14-32-19-3-1-2-16(12-19)23(30-10-8-21(26)27)31-11-9-22(28)29/h1-7,12-13,23H,8-11,14H2,(H,26,27)(H,28,29)