ethyl 1-ethyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC=CN3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC=CN3

InChI

InChI=1S/C18H19N3O3S/c1-3-21-15-8-7-12(17(23)24-4-2)10-14(15)20-18(21)25-11-16(22)13-6-5-9-19-13/h5-10,19H,3-4,11H2,1-2H3