2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-[3-(phenylmethylsulfanyl)propyl]carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-[3-(phenylmethylsulfanyl)propyl]carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(3-benzylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylmethylthio)propyl]carbamic acid phenethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(3-benzylsulfanylpropyl)carbamate Traditional Name: N-[3-(benzylthio)propyl]carbamic acid phenethyl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C32H41NO6S MolecularWeight: 567.73604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)CCOC(=O)NCCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)CCOC(=O)NCCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H23NO2S.C13H18O4/c21-19(22-14-12-17-8-3-1-4-9-17)20-13-7-15-23-16-18-10-5-2-6-11-18;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-6,8-11H,7,12-16H2,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)