ethyl 2-[3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(C#N)C3=NC(=CS3)C

InChI

InChI=1S/C20H20N4O3S2/c1-4-24-16-7-6-13(19(26)27-5-2)8-15(16)23-20(24)29-11-17(25)14(9-21)18-22-12(3)10-28-18/h6-8,10,14H,4-5,11H2,1-3H3