methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(6-morpholinosulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-(4-morpholinylsulfonyl)-1H-benzimidazol-2-yl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[(6-morpholinosulfonyl-1H-benzimidazol-2-yl)thio]butyric acid methyl ester Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)CC(=O)CSC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H19N3O6S2/c1-24-15(21)8-11(20)10-26-16-17-13-3-2-12(9-14(13)18-16)27(22,23)19-4-6-25-7-5-19/h2-3,9H,4-8,10H2,1H3,(H,17,18)