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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C

InChI

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