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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(2-phenylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(2-phenylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(phenylthio)ethyl]carbamic acid methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(2-phenylsulfanylethyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[2-(phenylthio)ethyl]carbamic acid methyl ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COC(=O)NCCSC1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COC(=O)NCCSC1=CC=CC=C1

InChI

InChI=1S/C13H18O4.C10H13NO2S/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-13-10(12)11-7-8-14-9-5-3-2-4-6-9/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);2-6H,7-8H2,1H3,(H,11,12)