methyl 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H16ClF3N2O2S2 MolecularWeight: 436.89935

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C

InChI

InChI=1S/C17H16ClF3N2O2S2/c1-4-10-8(2)27-14(13(10)15(24)25-3)23-16(26)22-9-5-6-12(18)11(7-9)17(19,20)21/h5-7H,4H2,1-3H3,(H2,22,23,26)