ethyl 1-ethyl-2-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(N1CC)C=CC(=C2)C(=O)OCC

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NC2=C(N1CC)C=CC(=C2)C(=O)OCC

InChI

InChI=1S/C19H27N3O3S/c1-5-8-13(4)20-17(23)12-26-19-21-15-11-14(18(24)25-7-3)9-10-16(15)22(19)6-2/h9-11,13H,5-8,12H2,1-4H3,(H,20,23)