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

Systemtic Name: 1-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]benzimidazole-5-carboxylate Formula: C13H13N4O4- MolecularWeight: 289.26672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-7(11(18)16-13(21)14-2)17-6-15-9-5-8(12(19)20)3-4-10(9)17/h3-7H,1-2H3,(H,19,20)(H2,14,16,18,21)/p-1/t7-/m0/s1