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

Systemtic Name: 6-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H18N2O3S/c1-12-4-3-5-15-13(2)8-20(23-21(12)15)27-11-17(24)14-6-7-18-16(9-14)22-19(25)10-26-18/h3-9H,10-11H2,1-2H3,(H,22,25)