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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5S/c21-18(12-26-17-9-5-4-8-15(17)20(22)23)24-11-14-10-16(25-19-14)13-6-2-1-3-7-13/h1-10H,11-12H2