(2-phenyl-1,3-thiazol-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C24H15F3N2O4S2 MolecularWeight: 516.51211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H15F3N2O4S2/c25-24(26,27)16-10-11-21(19(12-16)29(31)32)35-20-9-5-4-8-18(20)23(30)33-13-17-14-34-22(28-17)15-6-2-1-3-7-15/h1-12,14H,13H2