methyl 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carboxylate

Systemtic Name: methyl 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carboxylate Openeye Name: methyl 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-3-oxo-bicyclo[2.2.2]oct-5-ene-8-carboxylate CAS Name: 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl 6-(1,3-benzothiazol-2-yl)-2,2-dimethoxy-3-oxobicyclo[2.2.2]oct-5-ene-8-carboxylate Traditional Name: 6-(1,3-benzothiazol-2-yl)-3-keto-2,2-dimethoxy-bicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-23-18(22)11-9-13-12(8-10(11)16(21)19(13,24-2)25-3)17-20-14-6-4-5-7-15(14)26-17/h4-8,10-11,13H,9H2,1-3H3