ethyl 4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylbutanoate

Systemtic Name: ethyl 4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylbutanoate Openeye Name: ethyl 4-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylbutanoate CAS Name: 4-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbutanoate Traditional Name: 4-[(3-allyl-4-keto-quinazolin-2-yl)thio]butyric acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C17H20N2O3S/c1-3-11-19-16(21)13-8-5-6-9-14(13)18-17(19)23-12-7-10-15(20)22-4-2/h3,5-6,8-9H,1,4,7,10-12H2,2H3