methyl 1-oxidanylidene-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H17N3O4S/c1-32-25(31)19-14-28(24(30)17-9-3-2-7-15(17)19)27-23(29)18-13-21(22-11-6-12-33-22)26-20-10-5-4-8-16(18)20/h2-14H,1H3,(H,27,29)