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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid methyl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C22H37NO6S MolecularWeight: 443.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4.C9H19NO2S/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-3-4-5-7-13-8-6-10-9(11)12-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);3-8H2,1-2H3,(H,10,11)