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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)O[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-14-12-19(23-18-11-7-6-10-17(14)18)27-13-20(24)26-15(2)21(25)22-16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3,(H,22,25)/t15-/m1/s1