3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxidanylidene-butanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxo-butanoic acid CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-4-ethoxy-4-oxobutanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-4-oxobutanoic acid Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-4-ethoxy-4-keto-butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-2-20-13(19)9(7-12(17)18)8-21-14-15-10-5-3-4-6-11(10)16-14/h3-6,9H,2,7-8H2,1H3,(H,15,16)(H,17,18)