methyl 4-[2-(4-methylquinolin-2-yl)sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(4-methylquinolin-2-yl)sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(4-methyl-2-quinolyl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19NO4S/c1-14-11-19(22-18-6-4-3-5-17(14)18)27-13-20(23)26-12-15-7-9-16(10-8-15)21(24)25-2/h3-11H,12-13H2,1-2H3