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

Systemtic Name: 6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,6,8-trimethyl-2-quinolyl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-12-7-14(3)22-17(8-12)13(2)9-21(25-22)29-15(4)23(27)16-5-6-19-18(10-16)24-20(26)11-28-19/h5-10,15H,11H2,1-4H3,(H,24,26)