[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6S/c1-23-16-9-13(25-2)7-8-14(16)17(20)24-10-15(19)11-3-5-12(6-4-11)18(21)22/h3-9H,10H2,1-2H3