methyl 3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H12F3N3O3S2 MolecularWeight: 427.42069

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3S2/c1-26-15(25)13-11(6-7-27-13)21-12(24)8-28-14-9-4-2-3-5-10(9)22-16(23-14)17(18,19)20/h2-7H,8H2,1H3,(H,21,24)