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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-propan-2-ylphenyl) N-(3-propylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-isopropylphenyl) N-(3-propylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(propylthio)propyl]carbamic acid (4-propan-2-ylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-propan-2-ylphenyl) N-(3-propylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(propylthio)propyl]carbamic acid p-cumenyl ester Formula: C29H43NO6S MolecularWeight: 533.71982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S.C13H18O4/c1-4-11-20-12-5-10-17-16(18)19-15-8-6-14(7-9-15)13(2)3;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,17,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)