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

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)N[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O3S/c1-17-14-23(26-21-11-7-6-10-20(17)21)30-16-24(28)29-15-22(27)25-18(2)12-13-19-8-4-3-5-9-19/h3-11,14,18H,12-13,15-16H2,1-2H3,(H,25,27)/t18-/m1/s1