ethyl 2-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]thiazol-4-yl]acetate CAS Name: 2-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]thiazol-4-yl]acetic acid ethyl ester Formula: C16H14F3N4O3S+ MolecularWeight: 399.36757

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)[N+]2=C(N=C3C=CC(=CC3C2=O)N)C(F)(F)F

InChI

InChI=1S/C16H14F3N4O3S/c1-2-26-12(24)6-9-7-27-15(21-9)23-13(25)10-5-8(20)3-4-11(10)22-14(23)16(17,18)19/h3-5,7,10H,2,6,20H2,1H3/q+1