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

Systemtic Name: methyl 2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H17F3N2O4S2 MolecularWeight: 518.52799

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C24H17F3N2O4S2/c1-32-22(31)17-11-15(9-13-5-3-2-4-6-13)35-21(17)29-23(34)28-14-7-8-16-18(24(25,26)27)12-20(30)33-19(16)10-14/h2-8,10-12H,9H2,1H3,(H2,28,29,34)