dimethyl 3-methyl-5-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H15F3N2O6S2 MolecularWeight: 500.46811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C20H15F3N2O6S2/c1-8-14(17(27)29-2)16(33-15(8)18(28)30-3)25-19(32)24-9-4-5-10-11(20(21,22)23)7-13(26)31-12(10)6-9/h4-7H,1-3H3,(H2,24,25,32)