(4-methylsulfanylphenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [4-(methylthio)benzyl] ester Formula: C22H25NO6S2 MolecularWeight: 463.567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S2/c1-27-20-9-5-17(15-21(20)31(25,26)23-11-13-28-14-12-23)6-10-22(24)29-16-18-3-7-19(30-2)8-4-18/h3-10,15H,11-14,16H2,1-2H3/b10-6+