[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic 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)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C19H15FN2O5S/c1-12-17(21-27-19(12)13-2-4-14(20)5-3-13)10-26-18(23)11-28-16-8-6-15(7-9-16)22(24)25/h2-9H,10-11H2,1H3