2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3CC=C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3CC=C)O

InChI

InChI=1S/C22H18N2O4S/c1-3-10-24-21(27)16-6-4-5-7-17(16)23-22(24)29-12-14-11-19(26)28-20-13(2)18(25)9-8-15(14)20/h3-9,11,25H,1,10,12H2,2H3