ethyl (3aR,7aS)-1,2-dimethyl-5-oxidanylidene-4,7a-dihydro-3aH-indole-3-carboxylate

Systemtic Name: ethyl (3aR,7aS)-1,2-dimethyl-5-oxidanylidene-4,7a-dihydro-3aH-indole-3-carboxylate Openeye Name: ethyl (3aR,7aS)-1,2-dimethyl-5-oxo-4,7a-dihydro-3aH-indole-3-carboxylate CAS Name: (3aR,7aS)-1,2-dimethyl-5-oxo-4,7a-dihydro-3aH-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-1,2-dimethyl-5-oxo-4,7a-dihydro-3aH-indole-3-carboxylate Traditional Name: (3aR,7aS)-5-keto-1,2-dimethyl-4,7a-dihydro-3aH-indole-3-carboxylic acid ethyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2C1CC(=O)C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N([C@@H]2[C@@H]1CC(=O)C=C2)C)C

InChI

InChI=1S/C13H17NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-6,10-11H,4,7H2,1-3H3/t10-,11-/m0/s1