[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)CCC(=O)C2=CC=CS2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)CCC(=O)C2=CC=CS2)C(C)C

InChI

InChI=1S/C20H28O5S/c1-13(2)15-7-6-14(3)11-17(15)25-20(23)12-24-19(22)9-8-16(21)18-5-4-10-26-18/h4-5,10,13-15,17H,6-9,11-12H2,1-3H3/t14-,15+,17-/m0/s1