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

Systemtic Name: tert-butyl 2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-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 tert-butyl ester IUPAC Name: tert-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 tert-butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

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