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

Systemtic Name: 6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]-3H-1,3-benzoxazol-2-one CAS Name: 6-[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]-3H-1,3-benzoxazol-2-one Traditional Name: 6-[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]-3H-1,3-benzoxazol-2-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=CC4=C(C=C3)NC(=O)O4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C3=CC4=C(C=C3)NC(=O)O4)C)C

InChI

InChI=1S/C21H18N2O3S/c1-11-6-13(3)20-15(7-11)12(2)8-19(23-20)27-10-17(24)14-4-5-16-18(9-14)26-21(25)22-16/h4-9H,10H2,1-3H3,(H,22,25)