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

Systemtic Name: methyl 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: methyl 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetic acid methyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)OC

InChI

InChI=1S/C16H21N3O5S2/c1-3-19-14-5-4-12(26(21,22)18-6-8-24-9-7-18)10-13(14)17-16(19)25-11-15(20)23-2/h4-5,10H,3,6-9,11H2,1-2H3