ethyl 1-ethyl-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(2-thenylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CS3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H21N3O3S2/c1-3-22-16-8-7-13(18(24)25-4-2)10-15(16)21-19(22)27-12-17(23)20-11-14-6-5-9-26-14/h5-10H,3-4,11-12H2,1-2H3,(H,20,23)