(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C24H21NO4S/c1-14-8-19-17(11-23(26)29-21(19)9-15(14)2)12-28-24(27)13-30-22-10-16(3)18-6-4-5-7-20(18)25-22/h4-11H,12-13H2,1-3H3