5-bromanyl-2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-phenyl-quinazolin-6-yl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-phenyl-quinazolin-6-yl]amino]benzoic acid Openeye Name: 5-bromo-2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-phenyl-quinazolin-6-yl]amino]benzoic acid CAS Name: 5-bromo-2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-phenyl-6-quinazolinyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-phenylquinazolin-6-yl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-keto-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinazolin-6-yl]amino]benzoic acid Formula: C29H19BrN4O4S MolecularWeight: 599.45456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)NC5=C(C=C(C=C5)Br)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)NC5=C(C=C(C=C5)Br)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C29H19BrN4O4S/c1-38-19-9-12-24-25(15-19)39-29(33-24)34-26(16-5-3-2-4-6-16)32-22-11-8-18(14-20(22)27(34)35)31-23-10-7-17(30)13-21(23)28(36)37/h2-15,31H,1H3,(H,36,37)