2-ethoxy-3-[4-[2-[2-methylpropoxycarbonyl(3-phenylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[2-methylpropoxycarbonyl(3-phenylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[isobutoxycarbonyl(3-phenylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[[2-methylpropoxy(oxo)methyl]-[3-(phenylthio)propyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[2-methylpropoxycarbonyl(3-phenylsulfanylpropyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[isobutoxycarbonyl-[3-(phenylthio)propyl]amino]ethoxy]phenyl]propionic acid Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN(CCCSC2=CC=CC=C2)C(=O)OCC(C)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN(CCCSC2=CC=CC=C2)C(=O)OCC(C)C)C(=O)O

InChI

InChI=1S/C27H37NO6S/c1-4-32-25(26(29)30)19-22-11-13-23(14-12-22)33-17-16-28(27(31)34-20-21(2)3)15-8-18-35-24-9-6-5-7-10-24/h5-7,9-14,21,25H,4,8,15-20H2,1-3H3,(H,29,30)