(5-methyl-2-propan-2-yl-cyclohexyl) 2-quinolin-8-ylsulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-quinolin-8-ylsulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(8-quinolylsulfanyl)acetate CAS Name: 2-(8-quinolinylthio)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-quinolin-8-ylsulfanylacetate Traditional Name: 2-(8-quinolylthio)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=CC=CC3=C2N=CC=C3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=CC=CC3=C2N=CC=C3)C(C)C

InChI

InChI=1S/C21H27NO2S/c1-14(2)17-10-9-15(3)12-18(17)24-20(23)13-25-19-8-4-6-16-7-5-11-22-21(16)19/h4-8,11,14-15,17-18H,9-10,12-13H2,1-3H3