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

Systemtic Name: 6-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-cyclopropyl-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:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C21H17N3O4S/c25-17(12-5-8-18-16(9-12)22-19(26)10-28-18)11-29-21-23-15-4-2-1-3-14(15)20(27)24(21)13-6-7-13/h1-5,8-9,13H,6-7,10-11H2,(H,22,26)