ethyl 4-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,8-dimethyl-2-quinolyl)thio]methyl]benzoic acid ethyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

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