(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-phenyloxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-phenyloxazol-4-yl)methyl ester Formula: C25H18N2O6S MolecularWeight: 474.48522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=COC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=COC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O6S/c1-34-22-12-11-17(13-21(22)27(30)31)23(28)19-9-5-6-10-20(19)25(29)33-15-18-14-32-24(26-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3