(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-tert-butylsulfanylethanoate

Systemtic Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-tert-butylsulfanylethanoate Openeye Name: (7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-tert-butylsulfanylacetate CAS Name: 2-(tert-butylthio)acetic acid (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl ester IUPAC Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-tert-butylsulfanylacetate Traditional Name: 2-(tert-butylthio)acetic acid (7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl ester Formula: C26H42O2S MolecularWeight: 418.67548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)COC(=O)CSC(C)(C)C

Isomeric SMILES

CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)COC(=O)CSC(C)(C)C

InChI

InChI=1S/C26H42O2S/c1-18(2)19-9-11-21-20(15-19)10-12-22-25(6,13-8-14-26(21,22)7)17-28-23(27)16-29-24(3,4)5/h10,15,18,21-22H,8-9,11-14,16-17H2,1-7H3