ethyl 2-(3,7-dimethylquinolin-2-yl)sulfanylbutanoate

Systemtic Name: ethyl 2-(3,7-dimethylquinolin-2-yl)sulfanylbutanoate Openeye Name: ethyl 2-[(3,7-dimethyl-2-quinolyl)sulfanyl]butanoate CAS Name: 2-[(3,7-dimethyl-2-quinolinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethylquinolin-2-yl)sulfanylbutanoate Traditional Name: 2-[(3,7-dimethyl-2-quinolyl)thio]butyric acid ethyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=C(C=C2C=CC(=CC2=N1)C)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=C(C=C2C=CC(=CC2=N1)C)C

InChI

InChI=1S/C17H21NO2S/c1-5-15(17(19)20-6-2)21-16-12(4)10-13-8-7-11(3)9-14(13)18-16/h7-10,15H,5-6H2,1-4H3