ethyl 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]sulfanylbut-3-enoate

Systemtic Name: ethyl 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]sulfanylbut-3-enoate Openeye Name: ethyl 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]sulfanylbut-3-enoate CAS Name: 2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]thio]-3-butenoic acid ethyl ester IUPAC Name: ethyl 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylbut-3-enoate Traditional Name: 2-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]thio]but-3-enoic acid ethyl ester Formula: C16H28O2S MolecularWeight: 284.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C)SC1CC(CCC1C(C)C)C

Isomeric SMILES

CCOC(=O)C(C=C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C

InChI

InChI=1S/C16H28O2S/c1-6-14(16(17)18-7-2)19-15-10-12(5)8-9-13(15)11(3)4/h6,11-15H,1,7-10H2,2-5H3/t12-,13+,14?,15-/m0/s1