2-[6-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxidanylidene-1,2-benzothiazol-2-yl]pentanedioic acid

Systemtic Name: 2-[6-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxidanylidene-1,2-benzothiazol-2-yl]pentanedioic acid Openeye Name: 2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1,2-benzothiazol-2-yl]pentanedioic acid CAS Name: 2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1,2-benzothiazol-2-yl]pentanedioic acid IUPAC Name: 2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1,2-benzothiazol-2-yl]pentanedioic acid Traditional Name: 2-[3-keto-6-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]-1,2-benzothiazol-2-yl]glutaric acid Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O)N(S5)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O)N(S5)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H22N4O6S/c1-13-28-19-7-4-15-3-2-14(10-18(15)23(19)24(33)29-13)12-27-16-5-6-17-21(11-16)37-30(25(17)34)20(26(35)36)8-9-22(31)32/h2-7,10-11,20,27H,8-9,12H2,1H3,(H,31,32)(H,35,36)(H,28,29,33)