(4-methylsulfanylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetate CAS Name: 2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate Traditional Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetic acid [4-(methylthio)benzyl] ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25NO6S2/c1-26-19-8-5-17(13-20(19)30(24,25)22-9-11-27-12-10-22)14-21(23)28-15-16-3-6-18(29-2)7-4-16/h3-8,13H,9-12,14-15H2,1-2H3