3-[4-[2-[2-butylsulfanylethyl(propan-2-yloxycarbonyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[2-butylsulfanylethyl(propan-2-yloxycarbonyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[2-butylsulfanylethyl(isopropoxycarbonyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[2-(butylthio)ethyl-[oxo(propan-2-yloxy)methyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[2-butylsulfanylethyl(propan-2-yloxycarbonyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[2-(butylthio)ethyl-isopropoxycarbonyl-amino]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)OC(C)C

Isomeric SMILES

CCCCSCCN(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)OC(C)C

InChI

InChI=1S/C23H37NO6S/c1-5-7-15-31-16-13-24(23(27)30-18(3)4)12-14-29-20-10-8-19(9-11-20)17-21(22(25)26)28-6-2/h8-11,18,21H,5-7,12-17H2,1-4H3,(H,25,26)