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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methylphenyl) N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid (2-methoxy-5-methyl-phenyl) ester Formula: C32H41NO7S MolecularWeight: 583.73544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S.C13H18O4/c1-15-10-11-17(22-2)18(14-15)23-19(21)20-12-6-7-13-24-16-8-4-3-5-9-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)