[2-[2-(4-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[2-(4-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-[2-(4-fluorobenzoyl)hydrazino]-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-[[(4-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-[N'-(4-fluorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O4S/c1-13-10-19(23-17-5-3-2-4-16(13)17)30-12-20(27)29-11-18(26)24-25-21(28)14-6-8-15(22)9-7-14/h2-10H,11-12H2,1H3,(H,24,26)(H,25,28)