ethyl 1-ethyl-2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O4S/c1-4-26-20-11-8-17(22(28)30-5-2)14-19(20)25-23(26)31-15-21(27)24-13-12-16-6-9-18(29-3)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,27)