[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=NC=CN=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C16H16N2O3/c1-10-4-5-11(2)13(8-10)15(19)12(3)21-16(20)14-9-17-6-7-18-14/h4-9,12H,1-3H3/t12-/m0/s1