methyl (5aS,9aR)-5a-methyl-8-oxidanylidene-4,5,9,9a-tetrahydrobenzo[e][1]benzothiole-9-carboxylate

Systemtic Name: methyl (5aS,9aR)-5a-methyl-8-oxidanylidene-4,5,9,9a-tetrahydrobenzo[e][1]benzothiole-9-carboxylate Openeye Name: methyl (5aS,9aR)-5a-methyl-8-oxo-4,5,9,9a-tetrahydrobenzo[e]benzothiophene-9-carboxylate CAS Name: (5aS,9aR)-5a-methyl-8-oxo-4,5,9,9a-tetrahydrobenzo[e][1]benzothiole-9-carboxylic acid methyl ester IUPAC Name: methyl (5aS,9aR)-5a-methyl-8-oxo-4,5,9,9a-tetrahydrobenzo[e][1]benzothiole-9-carboxylate Traditional Name: (5aS,9aR)-8-keto-5a-methyl-4,5,9,9a-tetrahydrobenzo[e]benzothiophene-9-carboxylic acid methyl ester Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1C(C(=O)C=C2)C(=O)OC)C=CS3

Isomeric SMILES

C[C@@]12CCC3=C([C@@H]1C(C(=O)C=C2)C(=O)OC)C=CS3

InChI

InChI=1S/C15H16O3S/c1-15-6-3-10(16)12(14(17)18-2)13(15)9-5-8-19-11(9)4-7-15/h3,5-6,8,12-13H,4,7H2,1-2H3/t12?,13-,15-/m1/s1