[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20N2O7S/c1-30-19-12-16(18(25(28)29)13-20(19)31-2)23(27)32-14-22(26)24-17-10-6-7-11-21(17)33-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,24,26)