2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(2-pentylsulfanylethyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid (4-fluorophenyl)methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid (4-fluorobenzyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C28H40FNO6S MolecularWeight: 537.683703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCNC(=O)OCC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCSCCNC(=O)OCC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C15H22FNO2S.C13H18O4/c1-2-3-4-10-20-11-9-17-15(18)19-12-13-5-7-14(16)8-6-13;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h5-8H,2-4,9-12H2,1H3,(H,17,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)