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

Systemtic Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-phenyl-quinazolin-6-yl]amino]benzoic acid Openeye Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-phenyl-quinazolin-6-yl]amino]benzoic acid CAS Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-phenyl-6-quinazolinyl]amino]benzoic acid IUPAC Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-2-phenylquinazolin-6-yl]amino]benzoic acid Traditional Name: 2-[[4-keto-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenyl-quinazolin-6-yl]amino]benzoic acid Formula: C29H20N4O4S MolecularWeight: 520.5585

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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=CC=CC=C5C(=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=CC=CC=C5C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C29H20N4O4S/c1-37-19-12-14-24-25(16-19)38-29(32-24)33-26(17-7-3-2-4-8-17)31-23-13-11-18(15-21(23)27(33)34)30-22-10-6-5-9-20(22)28(35)36/h2-16,30H,1H3,(H,35,36)