2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-pentylsulfanylethyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid (2,4,5-trimethylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2,4,5-trimethylphenyl) N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid (2,4,5-trimethylphenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C30H45NO6S MolecularWeight: 547.7464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2S.C13H18O4/c1-5-6-7-9-21-10-8-18-17(19)20-16-12-14(3)13(2)11-15(16)4;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h11-12H,5-10H2,1-4H3,(H,18,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)