ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-butanoate hydrochloride

Systemtic Name: ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-butanoate hydrochloride Openeye Name: ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-butanoate hydrochloride CAS Name: 4-(1H-benzimidazol-2-ylthio)-3-oxobutanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxobutanoate hydrochloride Traditional Name: 4-(1H-benzimidazol-2-ylthio)-3-keto-butyric acid ethyl ester hydrochloride Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2N1.Cl

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2N1.Cl

InChI

InChI=1S/C13H14N2O3S.ClH/c1-2-18-12(17)7-9(16)8-19-13-14-10-5-3-4-6-11(10)15-13;/h3-6H,2,7-8H2,1H3,(H,14,15);1H