ethyl 2-(4-methylquinolin-2-yl)sulfanylbutanoate

Systemtic Name: ethyl 2-(4-methylquinolin-2-yl)sulfanylbutanoate Openeye Name: ethyl 2-[(4-methyl-2-quinolyl)sulfanyl]butanoate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylquinolin-2-yl)sulfanylbutanoate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]butyric acid ethyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=C1)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=C1)C

InChI

InChI=1S/C16H19NO2S/c1-4-14(16(18)19-5-2)20-15-10-11(3)12-8-6-7-9-13(12)17-15/h6-10,14H,4-5H2,1-3H3