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

Systemtic Name: butan-2-yl N-(4-phenylsulfanylbutyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; sec-butyl N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl N-(4-phenylsulfanylbutyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid sec-butyl ester Formula: C28H41NO6S MolecularWeight: 519.69324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NCCCCSC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCC(C)OC(=O)NCCCCSC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C15H23NO2S.C13H18O4/c1-3-13(2)18-15(17)16-11-7-8-12-19-14-9-5-4-6-10-14;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)