2-[4-[[7-methylsulfanyl-5,8-bis(oxidanylidene)quinolin-6-yl]amino]phenyl]butanoic acid

Systemtic Name: 2-[4-[[7-methylsulfanyl-5,8-bis(oxidanylidene)quinolin-6-yl]amino]phenyl]butanoic acid Openeye Name: 2-[4-[(7-methylsulfanyl-5,8-dioxo-6-quinolyl)amino]phenyl]butanoic acid CAS Name: 2-[4-[[7-(methylthio)-5,8-dioxo-6-quinolinyl]amino]phenyl]butanoic acid IUPAC Name: 2-[4-[(7-methylsulfanyl-5,8-dioxoquinolin-6-yl)amino]phenyl]butanoic acid Traditional Name: 2-[4-[[5,8-diketo-7-(methylthio)-6-quinolyl]amino]phenyl]butyric acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-3-13(20(25)26)11-6-8-12(9-7-11)22-16-17(23)14-5-4-10-21-15(14)18(24)19(16)27-2/h4-10,13,22H,3H2,1-2H3,(H,25,26)