2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(2-pentylsulfanylethyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(2-pentylsulfanylethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methylphenyl) N-(2-pentylsulfanylethyl)carbamate Traditional Name: N-[2-(amylthio)ethyl]carbamic acid (2-methoxy-5-methyl-phenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C29H43NO7S MolecularWeight: 549.71922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3S.C13H18O4/c1-4-5-6-10-21-11-9-17-16(18)20-15-12-13(2)7-8-14(15)19-3;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h7-8,12H,4-6,9-11H2,1-3H3,(H,17,18);5-8,12H,3-4,9H2,1-2H3,(H,14,15)