[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-14-11-19(22-17-10-6-5-9-16(14)17)29-13-20(26)28-12-18(25)23-24-21(27)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,23,25)(H,24,27)