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

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-butanoate CAS Name: 2-(1H-benzimidazol-2-ylthio)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-oxobutanoate Traditional Name: 2-(1H-benzimidazol-2-ylthio)-3-keto-butyric acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O3S/c1-3-18-12(17)11(8(2)16)19-13-14-9-6-4-5-7-10(9)15-13/h4-7,11H,3H2,1-2H3,(H,14,15)