S-tert-butyl (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)cyclopentyl]-6-phenylmethoxy-heptanethioate

Systemtic Name: S-tert-butyl (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)cyclopentyl]-6-phenylmethoxy-heptanethioate Openeye Name: S-tert-butyl (2R)-6-benzyloxy-6-methyl-2-[(1R,2R)-2-methyl-3-oxo-2-(3-oxobutyl)cyclopentyl]heptanethioate CAS Name: (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxo-2-(3-oxobutyl)cyclopentyl]-6-phenylmethoxyheptanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxo-2-(3-oxobutyl)cyclopentyl]-6-phenylmethoxyheptanethioate Traditional Name: (2R)-6-benzoxy-2-[(1R,2R)-3-keto-2-(3-ketobutyl)-2-methyl-cyclopentyl]-6-methyl-heptanethioic acid S-tert-butyl ester Formula: C29H44O4S MolecularWeight: 488.72226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(CCC1=O)C(CCCC(C)(C)OCC2=CC=CC=C2)C(=O)SC(C)(C)C)C

Isomeric SMILES

CC(=O)CC[C@@]1([C@H](CCC1=O)[C@@H](CCCC(C)(C)OCC2=CC=CC=C2)C(=O)SC(C)(C)C)C

InChI

InChI=1S/C29H44O4S/c1-21(30)17-19-29(7)24(15-16-25(29)31)23(26(32)34-27(2,3)4)14-11-18-28(5,6)33-20-22-12-9-8-10-13-22/h8-10,12-13,23-24H,11,14-20H2,1-7H3/t23-,24-,29-/m1/s1