ethyl 3,5-dimethyl-4-[(2S)-4-oxidanylidenebutan-2-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(2S)-4-oxidanylidenebutan-2-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(1S)-1-methyl-3-oxo-propyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(2S)-4-oxobutan-2-yl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(2S)-4-oxobutan-2-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-3-keto-1-methyl-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(C)CC=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)[C@@H](C)CC=O)C

InChI

InChI=1S/C13H19NO3/c1-5-17-13(16)12-9(3)11(10(4)14-12)8(2)6-7-15/h7-8,14H,5-6H2,1-4H3/t8-/m0/s1