1-[(2R)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]benzimidazole-5-carboxylate

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2R)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2R)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(propargylamino)ethyl]benzimidazole-5-carboxylate Formula: C14H12N3O3- MolecularWeight: 270.26338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-3-6-15-13(18)9(2)17-8-16-11-7-10(14(19)20)4-5-12(11)17/h1,4-5,7-9H,6H2,2H3,(H,15,18)(H,19,20)/p-1/t9-/m1/s1