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

Systemtic Name: butyl 2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(3-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=C(C=CC=N3)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=N3)C

InChI

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