butan-2-yl N-(2-pentylsulfanylethyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid

Systemtic Name: butan-2-yl N-(2-pentylsulfanylethyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; sec-butyl N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl N-(2-pentylsulfanylethyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Traditional Name: N-[2-(amylthio)ethyl]carbamic acid sec-butyl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C25H43NO6S MolecularWeight: 485.67702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4.C12H25NO2S/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-4-6-7-9-16-10-8-13-12(14)15-11(3)5-2/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);11H,4-10H2,1-3H3,(H,13,14)