2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl benzoate

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethyl benzoate Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]ethyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O3S/c1-2-10-23-18(24)16-13-15(21)8-9-17(16)22-20(23)27-12-11-26-19(25)14-6-4-3-5-7-14/h2-9,13H,1,10-12H2