[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-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)OC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)O[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

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