3-[[3-[(7-chloranylquinolin-2-yl)methylsulfanyl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-[(7-chloranylquinolin-2-yl)methylsulfanyl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[3-[(7-chloro-2-quinolyl)methylsulfanyl]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 3-[3-[(7-chloro-2-quinolinyl)methylthio]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 3-[3-[(7-chloroquinolin-2-yl)methylsulfanyl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 3-[3-[(7-chloro-2-quinolyl)methylthio]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C24H25ClN2O3S MolecularWeight: 456.9849

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C=O)NC1=CC(=CC=C1)SCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(C(C=O)NC1=CC(=CC=C1)SCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(=O)O

InChI

InChI=1S/C24H25ClN2O3S/c1-3-24(4-2,23(29)30)22(14-28)27-18-6-5-7-20(13-18)31-15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-14,22,27H,3-4,15H2,1-2H3,(H,29,30)