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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; o-tolyl N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid (2-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methylphenyl) N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid o-tolyl ester Formula: C31H39NO6S MolecularWeight: 553.70946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC=CC=C1OC(=O)NCCCCSC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC=CC=C1OC(=O)NCCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2S.C13H18O4/c1-15-9-5-6-12-17(15)21-18(20)19-13-7-8-14-22-16-10-3-2-4-11-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-6,9-12H,7-8,13-14H2,1H3,(H,19,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)