2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-(3-propylsulfanylpropyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-(3-propylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-(3-propylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(propylthio)propyl]carbamic acid (2-methoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxyphenyl) N-(3-propylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(propylthio)propyl]carbamic acid (2-methoxyphenyl) ester Formula: C27H39NO7S MolecularWeight: 521.66606

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)OC1=CC=CC=C1OC.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCSCCCNC(=O)OC1=CC=CC=C1OC.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H21NO3S.C13H18O4/c1-3-10-19-11-6-9-15-14(16)18-13-8-5-4-7-12(13)17-2;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)