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

Systemtic Name: ethyl 5-methyl-2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H19F3N2O4S2 MolecularWeight: 532.55457

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O4S2/c1-3-33-23(32)21-20(14-7-5-4-6-8-14)13(2)36-22(21)30-24(35)29-15-9-10-16-17(25(26,27)28)12-19(31)34-18(16)11-15/h4-12H,3H2,1-2H3,(H2,29,30,35)