methyl 3-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(4-isopropylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[(4-propan-2-ylphenyl)methylthio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]propanoate Traditional Name: 3-[2-[(4-isopropylbenzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-15(2)17-10-8-16(9-11-17)14-28-22-23-19-7-5-4-6-18(19)21(26)24(22)13-12-20(25)27-3/h4-11,15H,12-14H2,1-3H3