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

Systemtic Name: ethyl 2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H17F3N2O4S2 MolecularWeight: 518.52799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C24H17F3N2O4S2/c1-2-32-22(31)16-11-19(13-6-4-3-5-7-13)35-21(16)29-23(34)28-14-8-9-15-17(24(25,26)27)12-20(30)33-18(15)10-14/h3-12H,2H2,1H3,(H2,28,29,34)