2-ethoxy-3-[4-[2-[ethylcarbamoyl(3-propylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[ethylcarbamoyl(3-propylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[ethylcarbamoyl(3-propylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[ethylcarbamoyl-[3-(propylthio)propyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[ethylcarbamoyl(3-propylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[ethylcarbamoyl-[3-(propylthio)propyl]amino]ethoxy]phenyl]propionic acid Formula: C22H36N2O5S MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NCC

Isomeric SMILES

CCCSCCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NCC

InChI

InChI=1S/C22H36N2O5S/c1-4-15-30-16-7-12-24(22(27)23-5-2)13-14-29-19-10-8-18(9-11-19)17-20(21(25)26)28-6-3/h8-11,20H,4-7,12-17H2,1-3H3,(H,23,27)(H,25,26)