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

Systemtic Name: diethyl 5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27F3N4O4S2 MolecularWeight: 532.59939

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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)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3

InChI

InChI=1S/C22H27F3N4O4S2/c1-4-32-19(30)16-12(3)17(20(31)33-5-2)35-18(16)27-21(34)26-9-6-10-29-14(13-7-8-13)11-15(28-29)22(23,24)25/h11,13H,4-10H2,1-3H3,(H2,26,27,34)