[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H15BrN2O4/c1-10-14-9-12(21)7-8-16(14)27-17(10)20(25)26-11(2)18-22-15-6-4-3-5-13(15)19(24)23-18/h3-9,11H,1-2H3,(H,22,23,24)/t11-/m0/s1