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

Systemtic Name: dimethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H14F6N2O4S2 MolecularWeight: 500.435179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F6N2O4S2/c1-7-11(14(27)29-2)13(32-12(7)15(28)30-3)26-16(31)25-10-5-8(17(19,20)21)4-9(6-10)18(22,23)24/h4-6H,1-3H3,(H2,25,26,31)