6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C)C

InChI

InChI=1S/C22H20N2O3S/c1-12-6-14(3)22-16(7-12)13(2)8-21(24-22)28-11-18(25)15-4-5-19-17(9-15)23-20(26)10-27-19/h4-9H,10-11H2,1-3H3,(H,23,26)