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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-propylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-propylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(propylthio)propyl]carbamic acid (4-phenoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(3-propylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(propylthio)propyl]carbamic acid (4-phenoxyphenyl) ester Formula: C32H41NO7S MolecularWeight: 583.73544

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)OC1=CC=C(C=C1)OC2=CC=CC=C2.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCSCCCNC(=O)OC1=CC=C(C=C1)OC2=CC=CC=C2.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C19H23NO3S.C13H18O4/c1-2-14-24-15-6-13-20-19(21)23-18-11-9-17(10-12-18)22-16-7-4-3-5-8-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,7-12H,2,6,13-15H2,1H3,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)