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

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6S/c1-25-15-5-4-10(7-12(15)18(20)21)16(19)23-9-11-8-14(24-17-11)13-3-2-6-22-13/h2-8H,9H2,1H3