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

Systemtic Name: methyl 2-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-chloro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-chloro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14ClF3N2O2S2 MolecularWeight: 422.87277

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)Cl)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)Cl)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H14ClF3N2O2S2/c1-3-9-7-10(14(23)24-2)13(26-9)22-15(25)21-12-5-4-8(17)6-11(12)16(18,19)20/h4-7H,3H2,1-2H3,(H2,21,22,25)