2-ethoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[[(E)-3-(4-methylsulfonyloxyphenyl)acryloyl]amino]phenyl]propionic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H23NO7S/c1-3-28-19(21(24)25)14-16-4-9-17(10-5-16)22-20(23)13-8-15-6-11-18(12-7-15)29-30(2,26)27/h4-13,19H,3,14H2,1-2H3,(H,22,23)(H,24,25)/b13-8+