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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid 2-methoxyethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid 2-methoxyethyl ester Formula: C26H37NO7S MolecularWeight: 507.63948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COCCOC(=O)NCCCSC1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.COCCOC(=O)NCCCSC1=CC=CC=C1

InChI

InChI=1S/C13H19NO3S.C13H18O4/c1-16-9-10-17-13(15)14-8-5-11-18-12-6-3-2-4-7-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,6-7H,5,8-11H2,1H3,(H,14,15);5-8,12H,3-4,9H2,1-2H3,(H,14,15)