[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 3-(trifluoromethyl)benzoate

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 3-(trifluoromethyl)benzoate Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzyl] ester Formula: C22H13F3N2O4S2 MolecularWeight: 490.47483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC(=O)C4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC(=O)C4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H13F3N2O4S2/c23-22(24,25)15-5-3-4-14(11-15)20(28)31-12-13-8-9-19(17(10-13)27(29)30)33-21-26-16-6-1-2-7-18(16)32-21/h1-11H,12H2