7-chloranyl-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C22H17ClN2O4S/c1-3-8-25-21(27)17-6-4-14(23)10-18(17)24-22(25)30-12-13-9-20(26)29-19-11-15(28-2)5-7-16(13)19/h3-7,9-11H,1,8,12H2,2H3