ethyl (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(4,8-dimethyl-2-quinolinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(4,8-dimethyl-2-quinolyl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C21H21NO2S/c1-4-24-21(23)20(16-10-6-5-7-11-16)25-18-13-15(3)17-12-8-9-14(2)19(17)22-18/h5-13,20H,4H2,1-3H3/t20-/m0/s1