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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

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