ethyl 1-ethyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(isoamylamino)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-5-22-16-8-7-14(18(24)25-6-2)11-15(16)21-19(22)26-12-17(23)20-10-9-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,20,23)