triethyl 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate

Systemtic Name: triethyl 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate Openeye Name: triethyl 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate CAS Name: 1-(1H-benzimidazol-2-ylthio)propane-1,2,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl 1-(1H-benzimidazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate Traditional Name: 1-(1H-benzimidazol-2-ylthio)propane-1,2,3-tricarboxylic acid triethyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S/c1-4-25-15(22)11-12(17(23)26-5-2)16(18(24)27-6-3)28-19-20-13-9-7-8-10-14(13)21-19/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,21)