[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-ethylsulfanylpent-4-enoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-ethylsulfanylpent-4-enoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-ethylsulfanylpent-4-enoate CAS Name: 2-(ethylthio)-4-pentenoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-ethylsulfanylpent-4-enoate Traditional Name: 2-(ethylthio)pent-4-enoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H30O2S MolecularWeight: 298.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC=C)C(=O)OC1CC(CCC1C(C)C)C

Isomeric SMILES

CCSC(CC=C)C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C

InChI

InChI=1S/C17H30O2S/c1-6-8-16(20-7-2)17(18)19-15-11-13(5)9-10-14(15)12(3)4/h6,12-16H,1,7-11H2,2-5H3/t13-,14+,15-,16?/m0/s1