3-[2-carboxyethylsulfanyl-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]methyl]thio]propionic acid Formula: C24H22ClNO4S2 MolecularWeight: 488.01878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(SCCC(=O)O)SCCC(=O)O)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(SCCC(=O)O)SCCC(=O)O)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2

InChI

InChI=1S/C24H22ClNO4S2/c25-19-7-5-17-6-9-20(26-21(17)15-19)8-4-16-2-1-3-18(14-16)24(31-12-10-22(27)28)32-13-11-23(29)30/h1-9,14-15,24H,10-13H2,(H,27,28)(H,29,30)/b8-4+