dimethyl 3-methyl-5-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H21F3N4O4S2 MolecularWeight: 478.50895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O4S2/c1-9-8-11(18(19,20)21)24-25(9)7-5-6-22-17(30)23-14-12(15(26)28-3)10(2)13(31-14)16(27)29-4/h8H,5-7H2,1-4H3,(H2,22,23,30)