(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CSC4=CC=CC=C4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CSC4=CC=CC=C4C

InChI

InChI=1S/C23H27N3O5S2/c1-3-26-20-9-8-18(33(28,29)25-10-12-30-13-11-25)14-19(20)24-22(26)15-31-23(27)16-32-21-7-5-4-6-17(21)2/h4-9,14H,3,10-13,15-16H2,1-2H3