methyl 2-[[7,7-dimethyl-1-(4-methylphenyl)-2,5-bis(oxidanylidene)-6,8-dihydroquinolin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[7,7-dimethyl-1-(4-methylphenyl)-2,5-bis(oxidanylidene)-6,8-dihydroquinolin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[7,7-dimethyl-2,5-dioxo-1-(p-tolyl)-6,8-dihydroquinoline-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinolin-3-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2,5-diketo-7,7-dimethyl-1-(p-tolyl)-6,8-dihydroquinoline-3-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC(CCSC)C(=O)OC)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC(CCSC)C(=O)OC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C25H30N2O5S/c1-15-6-8-16(9-7-15)27-20-13-25(2,3)14-21(28)17(20)12-18(23(27)30)22(29)26-19(10-11-33-5)24(31)32-4/h6-9,12,19H,10-11,13-14H2,1-5H3,(H,26,29)