[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-5-thiazolecarboxylic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C18H12F3N3O5S2 MolecularWeight: 471.43019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N3O5S2/c1-9-15(31-16(22-9)10-4-5-30-8-10)17(26)29-7-14(25)23-12-3-2-11(18(19,20)21)6-13(12)24(27)28/h2-6,8H,7H2,1H3,(H,23,25)