methyl 2-(3-ethyl-5,8-dimethyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-ethyl-5,8-dimethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-ethyl-5,8-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-ethyl-5,8-dimethyl-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-5,8-dimethyl-2-quinolyl)thio]acetic acid methyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=CC(=C2N=C1SCC(=O)OC)C)C

Isomeric SMILES

CCC1=CC2=C(C=CC(=C2N=C1SCC(=O)OC)C)C

InChI

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