ethyl 1-ethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-(2-morpholino-2-oxo-ethyl)sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[(2-keto-2-morpholino-ethyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCOCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O4S/c1-3-21-15-6-5-13(17(23)25-4-2)11-14(15)19-18(21)26-12-16(22)20-7-9-24-10-8-20/h5-6,11H,3-4,7-10,12H2,1-2H3