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

Systemtic Name: 1-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]benzimidazole-5-carboxylate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-3-14-12(17)8(2)16-7-15-10-6-9(13(18)19)4-5-11(10)16/h4-8H,3H2,1-2H3,(H,14,17)(H,18,19)/p-1/t8-/m0/s1