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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitro-phenyl) N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-methyl-3-nitrophenyl) N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C30H36N2O8S MolecularWeight: 584.68044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=C(C=C(C=C1)OC(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=C(C=C(C=C1)OC(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4S.C13H18O4/c1-13-8-9-14(12-16(13)19(21)22)23-17(20)18-10-5-11-24-15-6-3-2-4-7-15;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)