[(2R)-6-methyl-2-[(1R,2S)-2-methyl-2-phenylsulfanyl-cyclobutyl]hept-5-en-2-yl] benzoate

Systemtic Name: [(2R)-6-methyl-2-[(1R,2S)-2-methyl-2-phenylsulfanyl-cyclobutyl]hept-5-en-2-yl] benzoate Openeye Name: [(1R)-1,5-dimethyl-1-[(1R,2S)-2-methyl-2-phenylsulfanyl-cyclobutyl]hex-4-enyl] benzoate CAS Name: benzoic acid [(2R)-6-methyl-2-[(1R,2S)-2-methyl-2-(phenylthio)cyclobutyl]hept-5-en-2-yl] ester IUPAC Name: [(2R)-6-methyl-2-[(1R,2S)-2-methyl-2-phenylsulfanylcyclobutyl]hept-5-en-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1,5-dimethyl-1-[(1R,2S)-2-methyl-2-(phenylthio)cyclobutyl]hex-4-enyl] ester Formula: C26H32O2S MolecularWeight: 408.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1CCC1(C)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(=CCC[C@](C)([C@H]1CC[C@]1(C)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H32O2S/c1-20(2)12-11-18-25(3,28-24(27)21-13-7-5-8-14-21)23-17-19-26(23,4)29-22-15-9-6-10-16-22/h5-10,12-16,23H,11,17-19H2,1-4H3/t23-,25-,26+/m1/s1