6-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H17N3O4S/c1-2-9-24-20(27)14-5-3-4-6-15(14)23-21(24)29-12-17(25)13-7-8-18-16(10-13)22-19(26)11-28-18/h2-8,10H,1,9,11-12H2,(H,22,26)