3,3-dimethyl-6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,2,4,5-tetrone

Systemtic Name: 3,3-dimethyl-6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,2,4,5-tetrone Openeye Name: 3,3-dimethyl-6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,2,4,5-tetrone CAS Name: 3,3-dimethyl-6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,2,4,5-tetrone IUPAC Name: 3,3-dimethyl-6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,2,4,5-tetrone Traditional Name: 3,3-dimethyl-6-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,2,4,5-diquinone Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=O)C(=C2N(C3=CC=CC=C3S2)C)C(=O)C1=O)C

Isomeric SMILES

CC1(C(=O)C(=O)C(=C2N(C3=CC=CC=C3S2)C)C(=O)C1=O)C

InChI

InChI=1S/C16H13NO4S/c1-16(2)13(20)11(18)10(12(19)14(16)21)15-17(3)8-6-4-5-7-9(8)22-15/h4-7H,1-3H3