propan-2-yl 2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]acetic acid isopropyl ester Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)OC(C)C

InChI

InChI=1S/C19H19N3O3S/c1-12(2)25-17(23)11-26-19-21-15-7-5-4-6-14(15)18(24)22(19)16-10-13(3)8-9-20-16/h4-10,12H,11H2,1-3H3/p+1