cyclohexyl 2-quinolin-2-ylsulfanylethanoate

Systemtic Name: cyclohexyl 2-quinolin-2-ylsulfanylethanoate Openeye Name: cyclohexyl 2-(2-quinolylsulfanyl)acetate CAS Name: 2-(2-quinolinylthio)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-quinolin-2-ylsulfanylacetate Traditional Name: 2-(2-quinolylthio)acetic acid cyclohexyl ester Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H19NO2S/c19-17(20-14-7-2-1-3-8-14)12-21-16-11-10-13-6-4-5-9-15(13)18-16/h4-6,9-11,14H,1-3,7-8,12H2