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

Systemtic Name: methyl 2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H15F3N2O4S2 MolecularWeight: 504.50141

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C23H15F3N2O4S2/c1-31-21(30)15-10-18(12-5-3-2-4-6-12)34-20(15)28-22(33)27-13-7-8-14-16(23(24,25)26)11-19(29)32-17(14)9-13/h2-11H,1H3,(H2,27,28,33)