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

Systemtic Name: methyl 5-ethyl-2-[[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-keto-4-(trifluoromethyl)chromen-7-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H15F3N2O4S2 MolecularWeight: 456.45861

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C19H15F3N2O4S2/c1-3-10-7-12(17(26)27-2)16(30-10)24-18(29)23-9-4-5-11-13(19(20,21)22)8-15(25)28-14(11)6-9/h4-8H,3H2,1-2H3,(H2,23,24,29)