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

Systemtic Name: 1-[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl]benzimidazole-5-carboxylate Formula: C14H16N3O4- MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c1-9(13(18)15-5-6-21-2)17-8-16-11-7-10(14(19)20)3-4-12(11)17/h3-4,7-9H,5-6H2,1-2H3,(H,15,18)(H,19,20)/p-1/t9-/m0/s1