1H-benzimidazol-2-ylsulfanyl 3-oxidanylidenebutanoate hydrochloride

Systemtic Name: 1H-benzimidazol-2-ylsulfanyl 3-oxidanylidenebutanoate hydrochloride Openeye Name: 1H-benzimidazol-2-ylsulfanyl 3-oxobutanoate hydrochloride CAS Name: 3-oxobutanoic acid (1H-benzimidazol-2-ylthio) ester hydrochloride IUPAC Name: 1H-benzimidazol-2-ylsulfanyl 3-oxobutanoate hydrochloride Traditional Name: 3-ketobutyric acid (1H-benzimidazol-2-ylthio) ester hydrochloride Formula: C11H11ClN2O3S MolecularWeight: 286.73464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OSC1=NC2=CC=CC=C2N1.Cl

Isomeric SMILES

CC(=O)CC(=O)OSC1=NC2=CC=CC=C2N1.Cl

InChI

InChI=1S/C11H10N2O3S.ClH/c1-7(14)6-10(15)16-17-11-12-8-4-2-3-5-9(8)13-11;/h2-5H,6H2,1H3,(H,12,13);1H