(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=C(ON=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=C(ON=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-12-4-7-16(8-5-12)28-19-9-6-15(10-18(19)22(24)25)20(23)26-11-17-13(2)21-27-14(17)3/h4-10H,11H2,1-3H3