ethyl 1-ethyl-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(allylamino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC=C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC=C

InChI

InChI=1S/C17H21N3O3S/c1-4-9-18-15(21)11-24-17-19-13-10-12(16(22)23-6-3)7-8-14(13)20(17)5-2/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,18,21)