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

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (5-phenyloxazol-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (5-phenyloxazol-2-yl)methyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NC=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NC=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5S/c1-26-16-8-7-13(9-14(16)20(22)23)18(21)24-11-17-19-10-15(25-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3