ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O5S/c1-3-25-17-7-5-14(21(27)28-4-2)11-16(17)24-22(25)31-13-20(26)23-15-6-8-18-19(12-15)30-10-9-29-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,26)