[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C17H19N3O3/c1-11(2)13-4-6-14(7-5-13)20-16(21)12(3)23-17(22)15-10-18-8-9-19-15/h4-12H,1-3H3,(H,20,21)/t12-/m0/s1