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

Systemtic Name: [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)oxazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [5-(4-chlorophenyl)-2-oxazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [5-(4-chlorophenyl)oxazol-2-yl]methyl ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O5S/c1-27-16-7-4-12(8-14(16)21(23)24)18(22)25-10-17-20-9-15(26-17)11-2-5-13(19)6-3-11/h2-9H,10H2,1H3