methyl 3-[4-oxidanylidene-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-(3-phenylpropylthio)-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-(3-phenylpropylthio)quinazolin-3-yl]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-26-19(24)13-14-23-20(25)17-11-5-6-12-18(17)22-21(23)27-15-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3