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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; methyl N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid methyl ester Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4.C12H17NO2S/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-15-12(14)13-9-5-6-10-16-11-7-3-2-4-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)