[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=NC=CN=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=NC=CN=C2)C)C

InChI

InChI=1S/C17H18N2O3/c1-10-7-12(3)14(8-11(10)2)16(20)13(4)22-17(21)15-9-18-5-6-19-15/h5-9,13H,1-4H3/t13-/m0/s1