butyl 2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetic acid butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=CC(=C3)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=CC(=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-3-4-11-26-18(24)13-27-20-22-16-8-6-5-7-15(16)19(25)23(20)17-12-14(2)9-10-21-17/h5-10,12H,3-4,11,13H2,1-2H3