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

Systemtic Name: 1-[(2S)-butan-2-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-1-methylpropyl]-2-oxo-3H-benzimidazole-5-carboxylate CAS Name: 1-[(2S)-butan-2-yl]-2-oxo-3H-benzimidazole-5-carboxylate IUPAC Name: 1-[(2S)-butan-2-yl]-2-oxo-3H-benzimidazole-5-carboxylate Traditional Name: 2-keto-1-[(1S)-1-methylpropyl]-3H-benzimidazole-5-carboxylate Formula: C12H13N2O3- MolecularWeight: 233.24322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-3-7(2)14-10-5-4-8(11(15)16)6-9(10)13-12(14)17/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16)/p-1/t7-/m0/s1