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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (5-methylisoxazol-3-yl)methyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c1-9-6-10(14-20-9)7-19-13(16)8-21-12-4-2-11(3-5-12)15(17)18/h2-6H,7-8H2,1H3