methyl 3-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CCC(=O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CCC(=O)OC

InChI

InChI=1S/C24H26N2O5S/c1-4-30-20-12-16-11-15(2)31-21(16)13-17(20)14-32-24-25-19-8-6-5-7-18(19)23(28)26(24)10-9-22(27)29-3/h5-8,12-13,15H,4,9-11,14H2,1-3H3