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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H12N2O5S2 MolecularWeight: 376.40688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S2/c1-24-14-5-4-10(7-12(14)18(20)21)16(19)22-9-11-8-13(23-17-11)15-3-2-6-25-15/h2-8H,9H2,1H3