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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22F3N3O5S2 MolecularWeight: 541.56309

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C23H22F3N3O5S2/c1-5-29(6-2)20(31)18-11(3)17(21(32)33-4)19(36-18)28-22(35)27-12-7-8-13-14(23(24,25)26)10-16(30)34-15(13)9-12/h7-10H,5-6H2,1-4H3,(H2,27,28,35)