ethyl 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]thiazole-5-carboxylic acid ethyl ester Formula: C14H11F3N2O4S2 MolecularWeight: 392.37335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C14H11F3N2O4S2/c1-3-23-12(20)11-7(2)18-13(25-11)24-10-5-4-8(14(15,16)17)6-9(10)19(21)22/h4-6H,3H2,1-2H3