S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-6-phenylmethoxy-heptanethioate

Systemtic Name: S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-6-phenylmethoxy-heptanethioate Openeye Name: S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-benzyloxy-6-methyl-heptanethioate CAS Name: (2R)-2-[(1R,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-6-phenylmethoxyheptanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-6-phenylmethoxyheptanethioate Traditional Name: (2R)-2-[(1R,7aR)-5-keto-7a-methyl-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-benzoxy-6-methyl-heptanethioic acid S-tert-butyl ester Formula: C29H42O3S MolecularWeight: 470.70698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC2C(CCCC(C)(C)OCC3=CC=CC=C3)C(=O)SC(C)(C)C

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]2[C@@H](CCCC(C)(C)OCC3=CC=CC=C3)C(=O)SC(C)(C)C

InChI

InChI=1S/C29H42O3S/c1-27(2,3)33-26(31)24(25-15-14-22-19-23(30)16-18-29(22,25)6)13-10-17-28(4,5)32-20-21-11-8-7-9-12-21/h7-9,11-12,19,24-25H,10,13-18,20H2,1-6H3/t24-,25-,29+/m1/s1