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

Systemtic Name: methyl 3-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinolin-9-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(2-cyclohexyl-3-keto-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=C3CN(C(=O)C3=NC4=CC=CC=C42)C5CCCCC5

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=C3CN(C(=O)C3=NC4=CC=CC=C42)C5CCCCC5

InChI

InChI=1S/C24H23N3O4S/c1-31-24(30)21-18(11-12-32-21)26-22(28)19-15-9-5-6-10-17(15)25-20-16(19)13-27(23(20)29)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,26,28)