[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-4-26-18-10-15(20(23)24)14(9-17(18)25-2)19(22)27-11-16(21)12-5-7-13(28-3)8-6-12/h5-10H,4,11H2,1-3H3