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

Systemtic Name: ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-3-oxobutanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)-3-keto-butyric acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/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)