6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-methyl-8-prop-1-en-2-yl-bicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-methyl-8-prop-1-en-2-yl-bicyclo[2.2.2]oct-5-en-3-one Openeye Name: 6-(1,3-benzothiazol-2-yl)-8-isopropenyl-2,2-dimethoxy-8-methyl-bicyclo[2.2.2]oct-5-en-3-one CAS Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-methyl-8-(1-methylethenyl)-3-bicyclo[2.2.2]oct-5-enone IUPAC Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-methyl-8-prop-1-en-2-ylbicyclo[2.2.2]oct-5-en-3-one Traditional Name: 6-(1,3-benzothiazol-2-yl)-8-isopropenyl-2,2-dimethoxy-8-methyl-bicyclo[2.2.2]oct-5-en-3-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1(CC2C(=CC1C(=O)C2(OC)OC)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC(=C)C1(CC2C(=CC1C(=O)C2(OC)OC)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H23NO3S/c1-12(2)20(3)11-15-13(10-14(20)18(23)21(15,24-4)25-5)19-22-16-8-6-7-9-17(16)26-19/h6-10,14-15H,1,11H2,2-5H3