methyl 2-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinolin-9-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-cyclohexyl-3-keto-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C2CN(C(=O)C2=NC3=CC=CC=C31)C4CCCCC4

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C2CN(C(=O)C2=NC3=CC=CC=C31)C4CCCCC4

InChI

InChI=1S/C24H29N3O4S/c1-31-24(30)19(12-13-32-2)26-22(28)20-16-10-6-7-11-18(16)25-21-17(20)14-27(23(21)29)15-8-4-3-5-9-15/h6-7,10-11,15,19H,3-5,8-9,12-14H2,1-2H3,(H,26,28)