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

Systemtic Name: diethyl 3-methyl-5-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C22H19F3N2O6S2 MolecularWeight: 528.52127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C22H19F3N2O6S2/c1-4-31-19(29)16-10(3)17(20(30)32-5-2)35-18(16)27-21(34)26-11-6-7-12-13(22(23,24)25)9-15(28)33-14(12)8-11/h6-9H,4-5H2,1-3H3,(H2,26,27,34)