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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid (3-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid (3-fluorophenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C27H38FNO6S MolecularWeight: 523.657123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCNC(=O)OC1=CC(=CC=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCSCCNC(=O)OC1=CC(=CC=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H20FNO2S.C13H18O4/c1-2-3-4-9-19-10-8-16-14(17)18-13-7-5-6-12(15)11-13;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h5-7,11H,2-4,8-10H2,1H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)