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

Systemtic Name: 6-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H20N2O4S/c1-12-9-20(24-21-15(12)5-4-6-18(21)27-3)29-13(2)22(26)14-7-8-17-16(10-14)23-19(25)11-28-17/h4-10,13H,11H2,1-3H3,(H,23,25)