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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(OC(=O)C=C4C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(OC(=O)C=C4C)C

InChI

InChI=1S/C22H25N3O7S/c1-4-25-18-6-5-16(33(28,29)24-7-9-30-10-8-24)12-17(18)23-19(25)13-31-22(27)21-14(2)11-20(26)32-15(21)3/h5-6,11-12H,4,7-10,13H2,1-3H3