3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CCCCC5

InChI

InChI=1S/C27H26N2O4S/c1-32-20-11-12-21-19(15-25(30)33-24(21)16-20)17-34-27-28-23-10-6-5-9-22(23)26(31)29(27)14-13-18-7-3-2-4-8-18/h5-7,9-12,15-16H,2-4,8,13-14,17H2,1H3