methyl (2S,4R)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylsulfonyloxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylsulfonyloxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylsulfonyloxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-methylsulfonyloxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylsulfonyloxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-methylsulfonyloxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H23NO8S MolecularWeight: 413.44212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CC(CC2C(=O)OC)OS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)C)OC

InChI

InChI=1S/C18H23NO8S/c1-24-15-7-5-12(9-16(15)25-2)6-8-17(20)19-11-13(27-28(4,22)23)10-14(19)18(21)26-3/h5-9,13-14H,10-11H2,1-4H3/b8-6+/t13-,14+/m1/s1