diethyl 2-[[(E)-3-methylsulfonyloxy-7-phenyl-hept-6-enoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(E)-3-methylsulfonyloxy-7-phenyl-hept-6-enoyl]amino]propanedioate Openeye Name: diethyl 2-[[(E)-3-methylsulfonyloxy-7-phenyl-hept-6-enoyl]amino]propanedioate CAS Name: 2-[[(E)-3-methylsulfonyloxy-1-oxo-7-phenylhept-6-enyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(E)-3-methylsulfonyloxy-7-phenylhept-6-enoyl]amino]propanedioate Traditional Name: 2-[[(E)-3-methylsulfonyloxy-7-phenyl-hept-6-enoyl]amino]malonic acid diethyl ester Formula: C21H29NO8S MolecularWeight: 455.52186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CC(CCC=CC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CC(CC/C=C/C1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C21H29NO8S/c1-4-28-20(24)19(21(25)29-5-2)22-18(23)15-17(30-31(3,26)27)14-10-9-13-16-11-7-6-8-12-16/h6-9,11-13,17,19H,4-5,10,14-15H2,1-3H3,(H,22,23)/b13-9+