(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (2S)-2-phenylsulfanylpropanoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic 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)C(C)SC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)[C@H](C)SC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5S2/c1-3-26-21-10-9-19(33(28,29)25-11-13-30-14-12-25)15-20(21)24-22(26)16-31-23(27)17(2)32-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3/t17-/m0/s1