2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetate IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetate Formula: C13H10ClN2O3S- MolecularWeight: 309.7481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)[O-]

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)[O-]

InChI

InChI=1S/C13H11ClN2O3S/c1-2-5-16-12(19)9-4-3-8(14)6-10(9)15-13(16)20-7-11(17)18/h2-4,6H,1,5,7H2,(H,17,18)/p-1