(2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C18H14N2O4S2 MolecularWeight: 386.44476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4S2/c1-25-16-8-7-13(9-15(16)20(22)23)18(21)24-10-14-11-26-17(19-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3