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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid (4-phenoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid (4-phenoxyphenyl) ester Formula: C35H39NO7S MolecularWeight: 617.75166

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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)OC2=CC=C(C=C2)OC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)OC2=CC=C(C=C2)OC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S.C13H18O4/c24-22(23-16-7-17-27-21-10-5-2-6-11-21)26-20-14-12-19(13-15-20)25-18-8-3-1-4-9-18;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-6,8-15H,7,16-17H2,(H,23,24);5-8,12H,3-4,9H2,1-2H3,(H,14,15)