methyl 4-ethyl-5-methyl-2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17F3N2O4S2 MolecularWeight: 470.48519

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C

InChI

InChI=1S/C20H17F3N2O4S2/c1-4-11-9(2)31-17(16(11)18(27)28-3)25-19(30)24-10-5-6-12-13(20(21,22)23)8-15(26)29-14(12)7-10/h5-8H,4H2,1-3H3,(H2,24,25,30)