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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid (3-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid (3-fluorophenyl) ester Formula: C29H34FNO6S MolecularWeight: 543.646763

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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)SCCCNC(=O)OC2=CC(=CC=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)SCCCNC(=O)OC2=CC(=CC=C2)F

InChI

InChI=1S/C16H16FNO2S.C13H18O4/c17-13-6-4-7-14(12-13)20-16(19)18-10-5-11-21-15-8-2-1-3-9-15;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-4,6-9,12H,5,10-11H2,(H,18,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)