[(1R)-1-cyanoethyl] (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-tosyloxy-phenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C20H19NO6S MolecularWeight: 401.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)OC(C)C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O[C@H](C)C#N)OC

InChI

InChI=1S/C20H19NO6S/c1-14-4-8-17(9-5-14)28(23,24)27-18-10-6-16(12-19(18)25-3)7-11-20(22)26-15(2)13-21/h4-12,15H,1-3H3/b11-7+/t15-/m1/s1