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

Systemtic Name: tert-butyl 2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C23H26N2O3S/c1-15(2)16-10-7-9-13-19(16)25-21(27)17-11-6-8-12-18(17)24-22(25)29-14-20(26)28-23(3,4)5/h6-13,15H,14H2,1-5H3