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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S/c1-12-15(20-18(26-12)13-6-4-3-5-7-13)11-25-19(22)14-8-9-17(27-2)16(10-14)21(23)24/h3-10H,11H2,1-2H3