ethyl 2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC(C)(C#N)C3CC3

InChI

InChI=1S/C20H24N4O3S/c1-4-24-16-9-6-13(18(26)27-5-2)10-15(16)22-19(24)28-11-17(25)23-20(3,12-21)14-7-8-14/h6,9-10,14H,4-5,7-8,11H2,1-3H3,(H,23,25)