(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C22H27N3O5S2/c1-4-16-12-20(31-15(16)3)22(26)30-14-21-23-18-13-17(6-7-19(18)25(21)5-2)32(27,28)24-8-10-29-11-9-24/h6-7,12-13H,4-5,8-11,14H2,1-3H3