phenacyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: phenacyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: phenacyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid phenacyl ester Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO3S/c1-14-11-19(21-17-10-6-5-9-16(14)17)25-13-20(23)24-12-18(22)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3