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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H25BrO2S MolecularWeight: 385.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=CC=C(C=C2)Br)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C18H25BrO2S/c1-12(2)16-9-4-13(3)10-17(16)21-18(20)11-22-15-7-5-14(19)6-8-15/h5-8,12-13,16-17H,4,9-11H2,1-3H3/t13-,16+,17-/m0/s1