(5-ethanoyl-2-ethoxy-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO6S/c1-4-25-17-7-5-13(12(2)21)9-15(17)11-26-19(22)14-6-8-18(27-3)16(10-14)20(23)24/h5-10H,4,11H2,1-3H3