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

Systemtic Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]amino]benzoic acid Openeye Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-quinazolin-6-yl]amino]benzoic acid CAS Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-quinazolinyl]amino]benzoic acid IUPAC Name: 2-[[3-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxoquinazolin-6-yl]amino]benzoic acid Traditional Name: 2-[[4-keto-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-quinazolin-6-yl]amino]benzoic acid Formula: C24H18N4O4S MolecularWeight: 458.48912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC3=CC=CC=C3C(=O)O)C(=O)N1C4=NC5=C(S4)C=C(C=C5)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC3=CC=CC=C3C(=O)O)C(=O)N1C4=NC5=C(S4)C=C(C=C5)OC

InChI

InChI=1S/C24H18N4O4S/c1-13-25-19-9-7-14(26-18-6-4-3-5-16(18)23(30)31)11-17(19)22(29)28(13)24-27-20-10-8-15(32-2)12-21(20)33-24/h3-12,26H,1-2H3,(H,30,31)