6-[2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(7-methoxy-4-methyl-2-quinolinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(7-methoxy-4-methyl-2-quinolyl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H18N2O4S/c1-12-7-21(23-16-9-14(26-2)4-5-15(12)16)28-11-18(24)13-3-6-19-17(8-13)22-20(25)10-27-19/h3-9H,10-11H2,1-2H3,(H,22,25)