5,5-dimethyl-2-[(E,4E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(E,4E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(E,4E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(E,4E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(E,4E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(E,4E)-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]cyclohexane-1,3-quinone Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=O)C(=C/C=C/C=C/2\N(C3=CC=CC=C3S2)C)C(=O)C1)C

InChI

InChI=1S/C20H21NO2S/c1-20(2)12-16(22)14(17(23)13-20)8-4-7-11-19-21(3)15-9-5-6-10-18(15)24-19/h4-11H,12-13H2,1-3H3/b7-4+,19-11+