2-[5-chloranyl-3-(7-chloranylquinolin-4-yl)-2-methylsulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-(7-chloranylquinolin-4-yl)-2-methylsulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(7-chloro-4-quinolyl)-2-methylsulfanyl-indol-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(7-chloro-4-quinolinyl)-2-(methylthio)-1-indolyl]acetic acid IUPAC Name: 2-[5-chloro-3-(7-chloroquinolin-4-yl)-2-methylsulfanylindol-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(7-chloro-4-quinolyl)-2-(methylthio)indol-1-yl]acetic acid Formula: C20H14Cl2N2O2S MolecularWeight: 417.30836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CSC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C20H14Cl2N2O2S/c1-27-20-19(14-6-7-23-16-9-12(22)2-4-13(14)16)15-8-11(21)3-5-17(15)24(20)10-18(25)26/h2-9H,10H2,1H3,(H,25,26)