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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O3S/c1-14-10-20(24-18-5-3-2-4-17(14)18)28-13-21(26)27-12-19(25)23-11-15-6-8-16(22)9-7-15/h2-10H,11-13H2,1H3,(H,23,25)