methyl (5aS,9aR)-3-bromanyl-5a-methyl-8-oxidanylidene-4,5,9,9a-tetrahydrobenzo[g][2]benzothiole-9-carboxylate

Systemtic Name: methyl (5aS,9aR)-3-bromanyl-5a-methyl-8-oxidanylidene-4,5,9,9a-tetrahydrobenzo[g][2]benzothiole-9-carboxylate Openeye Name: methyl (5aS,9aR)-3-bromo-5a-methyl-8-oxo-4,5,9,9a-tetrahydrobenzo[g][2]benzothiole-9-carboxylate CAS Name: (5aS,9aR)-3-bromo-5a-methyl-8-oxo-4,5,9,9a-tetrahydrobenzo[g][2]benzothiole-9-carboxylic acid methyl ester IUPAC Name: methyl (5aS,9aR)-3-bromo-5a-methyl-8-oxo-4,5,9,9a-tetrahydrobenzo[g][2]benzothiole-9-carboxylate Traditional Name: (5aS,9aR)-3-bromo-8-keto-5a-methyl-4,5,9,9a-tetrahydrobenz[e]isobenzothiophene-9-carboxylic acid methyl ester Formula: C15H15BrO3S MolecularWeight: 355.2468

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(SC=C3C1C(C(=O)C=C2)C(=O)OC)Br

Isomeric SMILES

C[C@@]12CCC3=C(SC=C3[C@@H]1C(C(=O)C=C2)C(=O)OC)Br

InChI

InChI=1S/C15H15BrO3S/c1-15-5-3-8-9(7-20-13(8)16)12(15)11(14(18)19-2)10(17)4-6-15/h4,6-7,11-12H,3,5H2,1-2H3/t11?,12-,15+/m1/s1