[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=CC=C3C(C)C

InChI

InChI=1S/C23H24N2O3S/c1-15(2)17-8-4-6-10-19(17)24-21(26)13-28-23(27)14-29-22-12-16(3)18-9-5-7-11-20(18)25-22/h4-12,15H,13-14H2,1-3H3,(H,24,26)