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

Systemtic Name: ethyl 2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]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(=C1)CC2=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)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O4S2/c1-2-33-23(32)18-12-16(10-14-6-4-3-5-7-14)36-22(18)30-24(35)29-15-8-9-17-19(25(26,27)28)13-21(31)34-20(17)11-15/h3-9,11-13H,2,10H2,1H3,(H2,29,30,35)