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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H15NO6S MolecularWeight: 361.3691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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