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

Systemtic Name: dimethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(trifluoromethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(trifluoromethyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H15F3N2O4S2 MolecularWeight: 432.43721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N2O4S2/c1-8-11(14(23)25-2)13(28-12(8)15(24)26-3)22-16(27)21-10-6-4-9(5-7-10)17(18,19)20/h4-7H,1-3H3,(H2,21,22,27)