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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-propan-2-ylphenyl) N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-isopropylphenyl) N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid (4-propan-2-ylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-propan-2-ylphenyl) N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid p-cumenyl ester 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.CC(C)C1=CC=C(C=C1)OC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)C1=CC=C(C=C1)OC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C19H23NO2S.C13H18O4/c1-15(2)16-9-11-17(12-10-16)22-19(21)20-13-6-14-23-18-7-4-3-5-8-18;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)