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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid 2-methoxyethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid 2-methoxyethyl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C24H41NO7S MolecularWeight: 487.64984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4.C11H23NO3S/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-3-4-5-9-16-10-6-12-11(13)15-8-7-14-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);3-10H2,1-2H3,(H,12,13)