dimethyl 5-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H14ClF3N2O4S2 MolecularWeight: 466.88227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H14ClF3N2O4S2/c1-7-11(14(24)26-2)13(29-12(7)15(25)27-3)23-16(28)22-8-4-5-10(18)9(6-8)17(19,20)21/h4-6H,1-3H3,(H2,22,23,28)