[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C19H15FN2O5S MolecularWeight: 402.396203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C19H15FN2O5S/c1-11-15(21-27-18(11)12-3-6-14(20)7-4-12)10-26-19(23)13-5-8-17(28-2)16(9-13)22(24)25/h3-9H,10H2,1-2H3