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

Systemtic Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C23H26N2O4S MolecularWeight: 426.52854

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)N3CCCO

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C23H26N2O4S/c1-3-28-20-12-16-11-15(2)29-21(16)13-17(20)14-30-23-24-19-8-5-4-7-18(19)22(27)25(23)9-6-10-26/h4-5,7-8,12-13,15,26H,3,6,9-11,14H2,1-2H3