2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(3-propylsulfanylpropyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(3-propylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(3-propylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(propylthio)propyl]carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(3-propylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(propylthio)propyl]carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C27H38N2O8S MolecularWeight: 550.66422

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)OC1=CC(=C(C=C1)C)[N+](=O)[O-].CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCSCCCNC(=O)OC1=CC(=C(C=C1)C)[N+](=O)[O-].CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H20N2O4S.C13H18O4/c1-3-8-21-9-4-7-15-14(17)20-12-6-5-11(2)13(10-12)16(18)19;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)