6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)N=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)N=CC=C5

InChI

InChI=1S/C21H13N3O2S/c1-12-4-9-16-17(11-12)27-19(23-16)13-5-7-14(8-6-13)24-20(25)15-3-2-10-22-18(15)21(24)26/h2-11H,1H3