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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methylphenyl) N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; p-tolyl N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid (4-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methylphenyl) N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid p-tolyl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C28H41NO6S MolecularWeight: 519.69324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2S.C13H18O4/c1-3-4-5-11-19-12-10-16-15(17)18-14-8-6-13(2)7-9-14;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)