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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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