(4-nitrophenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (4-nitrophenyl)methyl 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid (4-nitrobenzyl) ester Formula: C18H14N2O4S2 MolecularWeight: 386.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CSC=N3

InChI

InChI=1S/C18H14N2O4S2/c21-18(24-9-13-5-7-15(8-6-13)20(22)23)16-3-1-2-4-17(16)26-11-14-10-25-12-19-14/h1-8,10,12H,9,11H2