[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-15-12-21(24-19-11-7-6-10-18(15)19)28-14-22(26)27-13-20(25)23-16(2)17-8-4-3-5-9-17/h3-12,16H,13-14H2,1-2H3,(H,23,25)/t16-/m1/s1