(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H22N4O5S2/c1-2-26-19-6-4-16(33(28,29)25-7-9-30-10-8-25)12-18(19)24-21(26)13-31-22(27)15-3-5-17-20(11-15)32-14-23-17/h3-6,11-12,14H,2,7-10,13H2,1H3