ethyl 2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C16H14F3N4O3S+ MolecularWeight: 399.36757

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F)C

InChI

InChI=1S/C16H14F3N4O3S/c1-3-26-13(25)11-7(2)21-15(27-11)23-12(24)9-6-8(20)4-5-10(9)22-14(23)16(17,18)19/h4-6,9H,3,20H2,1-2H3/q+1