(5-ethanoyl-2-methoxy-phenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6S/c1-12(21)14-4-9-18(25-3)15(10-14)11-26-19(22)13(2)27-17-7-5-16(6-8-17)20(23)24/h4-10,13H,11H2,1-3H3