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

Systemtic Name: 2,2-diethyl-3-[[3-[(7-methylsulfanylquinolin-2-yl)methoxy]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-3-[3-[(7-methylsulfanyl-2-quinolyl)methoxy]anilino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-3-[3-[[7-(methylthio)-2-quinolinyl]methoxy]anilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-3-[3-[(7-methylsulfanylquinolin-2-yl)methoxy]anilino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-3-[3-[[7-(methylthio)-2-quinolyl]methoxy]anilino]butyric acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)SC)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(C(C=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)SC)C=C2)C(=O)O

InChI

InChI=1S/C25H28N2O4S/c1-4-25(5-2,24(29)30)23(15-28)27-18-7-6-8-20(13-18)31-16-19-11-9-17-10-12-21(32-3)14-22(17)26-19/h6-15,23,27H,4-5,16H2,1-3H3,(H,29,30)