2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(4-phenylsulfanylbutyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid ethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; ethyl N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid ethyl ester Formula: C26H37NO6S MolecularWeight: 491.64008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CCOC(=O)NCCCCSC1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CCOC(=O)NCCCCSC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2S.C13H18O4/c1-2-16-13(15)14-10-6-7-11-17-12-8-4-3-5-9-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,14,15);5-8,12H,3-4,9H2,1-2H3,(H,14,15)