methyl (2S,3aS,7aS)-1-ethanoyl-6-oxidanylidene-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylate

Systemtic Name: methyl (2S,3aS,7aS)-1-ethanoyl-6-oxidanylidene-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylate Openeye Name: methyl (2S,3aS,7aS)-1-acetyl-6-oxo-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylate CAS Name: (2S,3aS,7aS)-1-acetyl-6-oxo-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3aS,7aS)-1-acetyl-6-oxo-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylate Traditional Name: (2S,3aS,7aS)-1-acetyl-6-keto-3,3a,4,5,7,7a-hexahydro-2H-indole-2-carboxylic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2C1CC(=O)CC2)C(=O)OC

Isomeric SMILES

CC(=O)N1[C@@H](C[C@H]2[C@@H]1CC(=O)CC2)C(=O)OC

InChI

InChI=1S/C12H17NO4/c1-7(14)13-10-6-9(15)4-3-8(10)5-11(13)12(16)17-2/h8,10-11H,3-6H2,1-2H3/t8-,10-,11-/m0/s1