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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C26H20N2O6S MolecularWeight: 488.5118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O6S/c1-16-21(27-25(34-16)17-8-4-3-5-9-17)15-33-26(30)20-11-7-6-10-19(20)24(29)18-12-13-23(35-2)22(14-18)28(31)32/h3-14H,15H2,1-2H3