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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-propylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-propylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(propylthio)propyl]carbamic acid 2-methoxyethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; 2-methoxyethyl N-(3-propylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(propylthio)propyl]carbamic acid 2-methoxyethyl ester Formula: C23H39NO7S MolecularWeight: 473.62326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4.C10H21NO3S/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-3-8-15-9-4-5-11-10(12)14-7-6-13-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);3-9H2,1-2H3,(H,11,12)