3-phenethyl-2-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-phenethyl-2-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-phenethyl-2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-phenethyl-2-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-phenethyl-2-[(5,6,7-trimethoxy-3-oxo-1H-2-benzofuran-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-keto-5,6,7-trimethoxy-phthalan-4-yl)methylthio]-3-phenethyl-quinazolin-4-one Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OC)OC

InChI

InChI=1S/C28H26N2O6S/c1-33-23-19-15-36-27(32)22(19)20(24(34-2)25(23)35-3)16-37-28-29-21-12-8-7-11-18(21)26(31)30(28)14-13-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3