5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-quinone Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C16H17NO2S/c1-9-4-5-10-13(6-9)20-15(17-10)14-11(18)7-16(2,3)8-12(14)19/h4-6,14H,7-8H2,1-3H3