5,5-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6H-1,3-benzothiazole-4,7-dione

Systemtic Name: 5,5-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6H-1,3-benzothiazole-4,7-dione Openeye Name: 5,5-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6H-1,3-benzothiazole-4,7-dione CAS Name: 5,5-dimethyl-2-[6-(1-methyl-4-pyrazolyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6H-1,3-benzothiazole-4,7-dione IUPAC Name: 5,5-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6H-1,3-benzothiazole-4,7-dione Traditional Name: 5,5-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-6H-1,3-benzothiazole-4,7-quinone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1=O)N=C(S2)N3CCOC4=C3C=C(C=C4)C5=CN(N=C5)C)C

Isomeric SMILES

CC1(CC(=O)C2=C(C1=O)N=C(S2)N3CCOC4=C3C=C(C=C4)C5=CN(N=C5)C)C

InChI

InChI=1S/C21H20N4O3S/c1-21(2)9-15(26)18-17(19(21)27)23-20(29-18)25-6-7-28-16-5-4-12(8-14(16)25)13-10-22-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3