methyl 4-oxidanylidene-2-sulfanylidene-3-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-3-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-thioxo-3-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-thioxo-3-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H11F3N2O4S MolecularWeight: 396.34045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H11F3N2O4S/c1-25-15(24)9-2-7-12-13(8-9)21-16(27)22(14(12)23)10-3-5-11(6-4-10)26-17(18,19)20/h2-8H,1H3,(H,21,27)