methyl (2S)-5,7-bis(bromanyl)-1-ethanoyl-3a-oxidanyl-6-oxidanylidene-2,3,7,7a-tetrahydroindole-2-carboxylate

Systemtic Name: methyl (2S)-5,7-bis(bromanyl)-1-ethanoyl-3a-oxidanyl-6-oxidanylidene-2,3,7,7a-tetrahydroindole-2-carboxylate Openeye Name: methyl (2S)-1-acetyl-5,7-dibromo-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydroindole-2-carboxylate CAS Name: (2S)-1-acetyl-5,7-dibromo-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydroindole-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-1-acetyl-5,7-dibromo-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydroindole-2-carboxylate Traditional Name: (2S)-1-acetyl-5,7-dibromo-3a-hydroxy-6-keto-2,3,7,7a-tetrahydroindole-2-carboxylic acid methyl ester Formula: C12H13Br2NO5 MolecularWeight: 411.04332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2(C1C(C(=O)C(=C2)Br)Br)O)C(=O)OC

Isomeric SMILES

CC(=O)N1[C@@H](CC2(C1C(C(=O)C(=C2)Br)Br)O)C(=O)OC

InChI

InChI=1S/C12H13Br2NO5/c1-5(16)15-7(11(18)20-2)4-12(19)3-6(13)9(17)8(14)10(12)15/h3,7-8,10,19H,4H2,1-2H3/t7-,8?,10?,12?/m0/s1