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

Systemtic Name: 6-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H19N3O4S/c1-3-24-20(27)14-6-4-5-7-15(14)23-21(24)29-12(2)19(26)13-8-9-17-16(10-13)22-18(25)11-28-17/h4-10,12H,3,11H2,1-2H3,(H,22,25)