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

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-propanoyl-bicyclo[2.2.2]oct-5-en-3-one Openeye Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-propanoyl-bicyclo[2.2.2]oct-5-en-3-one CAS Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-(1-oxopropyl)-3-bicyclo[2.2.2]oct-5-enone IUPAC Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-propanoylbicyclo[2.2.2]oct-5-en-3-one Traditional Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-8-propionyl-bicyclo[2.2.2]oct-5-en-3-one Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CC2C(=CC1C(=O)C2(OC)OC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)C1CC2C(=CC1C(=O)C2(OC)OC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21NO4S/c1-4-16(22)11-10-14-13(9-12(11)18(23)20(14,24-2)25-3)19-21-15-7-5-6-8-17(15)26-19/h5-9,11-12,14H,4,10H2,1-3H3