3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyridin-4-ylsulfanylmethyl)cyclohexane-1,4-diol

Systemtic Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyridin-4-ylsulfanylmethyl)cyclohexane-1,4-diol Openeye Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(4-pyridylsulfanylmethyl)cyclohexane-1,4-diol CAS Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-[(pyridin-4-ylthio)methyl]cyclohexane-1,4-diol IUPAC Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-(pyridin-4-ylsulfanylmethyl)cyclohexane-1,4-diol Traditional Name: 3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-[(4-pyridylthio)methyl]cyclohexane-1,4-diol Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(CSC3=CC=NC=C3)O)O)OC)C

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(CSC3=CC=NC=C3)O)O)OC)C

InChI

InChI=1S/C21H31NO4S/c1-14(2)5-6-17-20(3,26-17)19-18(25-4)16(23)7-10-21(19,24)13-27-15-8-11-22-12-9-15/h5,8-9,11-12,16-19,23-24H,6-7,10,13H2,1-4H3