1-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate

Systemtic Name: 1-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(methylamino)ethyl]benzimidazole-5-carboxylate Formula: C12H12N3O3- MolecularWeight: 246.24198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)N1C=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC)N1C=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-7(11(16)13-2)15-6-14-9-5-8(12(17)18)3-4-10(9)15/h3-7H,1-2H3,(H,13,16)(H,17,18)/p-1/t7-/m0/s1