methyl (2R)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: (2R)-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate Traditional Name: (2R)-2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N2O3S/c1-13(2)15-9-11-16(12-10-15)23-19(24)17-7-5-6-8-18(17)22-21(23)27-14(3)20(25)26-4/h5-14H,1-4H3/t14-/m1/s1