ethyl 4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]benzoate Traditional Name: 4-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H15F3N2O4S MolecularWeight: 436.40431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O4S/c1-2-28-18(27)11-3-5-12(6-4-11)24-19(30)25-13-7-8-14-15(20(21,22)23)10-17(26)29-16(14)9-13/h3-10H,2H2,1H3,(H2,24,25,30)