2-oxidanylidene-1-[(2S)-pentan-2-yl]-3H-benzimidazole-5-carboxylate

Systemtic Name: 2-oxidanylidene-1-[(2S)-pentan-2-yl]-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-1-methylbutyl]-2-oxo-3H-benzimidazole-5-carboxylate CAS Name: 2-oxo-1-[(2S)-pentan-2-yl]-3H-benzimidazole-5-carboxylate IUPAC Name: 2-oxo-1-[(2S)-pentan-2-yl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-keto-1-[(1S)-1-methylbutyl]-3H-benzimidazole-5-carboxylate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=C(C=C(C=C2)C(=O)[O-])NC1=O

Isomeric SMILES

CCC[C@H](C)N1C2=C(C=C(C=C2)C(=O)[O-])NC1=O

InChI

InChI=1S/C13H16N2O3/c1-3-4-8(2)15-11-6-5-9(12(16)17)7-10(11)14-13(15)18/h5-8H,3-4H2,1-2H3,(H,14,18)(H,16,17)/p-1/t8-/m0/s1