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

Systemtic Name: tert-butyl 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N2O3S/c1-15-9-11-16(12-10-15)13-24-20(26)17-7-5-6-8-18(17)23-21(24)28-14-19(25)27-22(2,3)4/h5-12H,13-14H2,1-4H3