methyl 2-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H13F3N2O3S/c1-9-12(15(23)24-2)7-10(25-9)8-26-14-11-5-3-4-6-13(11)21-16(22-14)17(18,19)20/h3-7H,8H2,1-2H3