methyl 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(4-tert-butylphenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(4-tert-butylbenzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-23(2,3)17-11-9-16(10-12-17)15-29-22-24-19-8-6-5-7-18(19)21(27)25(22)14-13-20(26)28-4/h5-12H,13-15H2,1-4H3