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

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c1-11-20-21-17(28-11)10-27-19(24)14-6-4-3-5-13(14)18(23)12-7-8-16(29-2)15(9-12)22(25)26/h3-9H,10H2,1-2H3