tert-butyl 2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C24H28N2O3S/c1-6-16(2)17-11-13-18(14-12-17)26-22(28)19-9-7-8-10-20(19)25-23(26)30-15-21(27)29-24(3,4)5/h7-14,16H,6,15H2,1-5H3/t16-/m0/s1