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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-propan-2-ylphenyl) N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-isopropylphenyl) N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid (4-propan-2-ylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-propan-2-ylphenyl) N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid p-cumenyl ester Formula: C33H43NO6S MolecularWeight: 581.76262

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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)NCCCCSC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)C1=CC=C(C=C1)OC(=O)NCCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H25NO2S.C13H18O4/c1-16(2)17-10-12-18(13-11-17)23-20(22)21-14-6-7-15-24-19-8-4-3-5-9-19;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,21,22);5-8,12H,3-4,9H2,1-2H3,(H,14,15)