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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl) N-(3-propylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl) N-(3-propylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(propylthio)propyl]carbamic acid (4-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl) N-(3-propylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(propylthio)propyl]carbamic acid (4-fluorophenyl) ester Formula: C26H36FNO6S MolecularWeight: 509.630543

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)OC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCSCCCNC(=O)OC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C13H18FNO2S.C13H18O4/c1-2-9-18-10-3-8-15-13(16)17-12-6-4-11(14)5-7-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-7H,2-3,8-10H2,1H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)