ethyl (1S,2R,3R)-3-acetamido-1-cyano-3-methyl-2-(2-oxidanylidenepropyl)cyclopentane-1-carboxylate

Systemtic Name: ethyl (1S,2R,3R)-3-acetamido-1-cyano-3-methyl-2-(2-oxidanylidenepropyl)cyclopentane-1-carboxylate Openeye Name: ethyl (1S,2R,3R)-3-acetamido-2-acetonyl-1-cyano-3-methyl-cyclopentanecarboxylate CAS Name: (1S,2R,3R)-3-acetamido-1-cyano-3-methyl-2-(2-oxopropyl)-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3R)-3-acetamido-1-cyano-3-methyl-2-(2-oxopropyl)cyclopentane-1-carboxylate Traditional Name: (1S,2R,3R)-3-acetamido-2-acetonyl-1-cyano-3-methyl-cyclopentanecarboxylic acid ethyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C1CC(=O)C)(C)NC(=O)C)C#N

Isomeric SMILES

CCOC(=O)[C@]1(CC[C@@]([C@@H]1CC(=O)C)(C)NC(=O)C)C#N

InChI

InChI=1S/C15H22N2O4/c1-5-21-13(20)15(9-16)7-6-14(4,17-11(3)19)12(15)8-10(2)18/h12H,5-8H2,1-4H3,(H,17,19)/t12-,14+,15+/m0/s1