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

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-(4-propoxyphenoxy)ethylsulfanyl]quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-(4-propoxyphenoxy)ethylsulfanyl]quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[2-(4-propoxyphenoxy)ethylthio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-(4-propoxyphenoxy)ethylsulfanyl]quinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[2-(4-propoxyphenoxy)ethylthio]quinazolin-3-yl]propionic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-3-14-29-17-8-10-18(11-9-17)30-15-16-31-23-24-20-7-5-4-6-19(20)22(27)25(23)13-12-21(26)28-2/h4-11H,3,12-16H2,1-2H3