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

Systemtic Name: diethyl 3-methyl-5-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C20H25F3N4O4S2 MolecularWeight: 506.56211

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C

InChI

InChI=1S/C20H25F3N4O4S2/c1-5-30-17(28)14-12(4)15(18(29)31-6-2)33-16(14)25-19(32)24-8-7-9-27-11(3)10-13(26-27)20(21,22)23/h10H,5-9H2,1-4H3,(H2,24,25,32)