methyl (2S,4R)-1-methylsulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-methylsulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-methylsulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-methylsulfonyl-4-[(E)-1-oxo-3-phenylprop-2-enoxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-methylsulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-mesyl-4-[(E)-3-phenylacryloyl]oxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1S(=O)(=O)C)OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C)OC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H19NO6S/c1-22-16(19)14-10-13(11-17(14)24(2,20)21)23-15(18)9-8-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/b9-8+/t13-,14+/m1/s1