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

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

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-27-20-17(18(25)14-5-3-11-21-16(14)19(20)26)22-13-9-7-12(8-10-13)4-2-6-15(23)24/h3,5,7-11,22H,2,4,6H2,1H3,(H,23,24)