(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-(2-methylbutan-2-ylsulfanyl)ethanoate

Systemtic Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-(2-methylbutan-2-ylsulfanyl)ethanoate Openeye Name: (7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-(1,1-dimethylpropylsulfanyl)acetate CAS Name: 2-(2-methylbutan-2-ylthio)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-(2-methylbutan-2-ylsulfanyl)acetate Traditional Name: 2-(tert-amylthio)acetic acid (7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl ester Formula: C27H44O2S MolecularWeight: 432.70206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SCC(=O)OCC1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C

Isomeric SMILES

CCC(C)(C)SCC(=O)OCC1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C

InChI

InChI=1S/C27H44O2S/c1-8-25(4,5)30-17-24(28)29-18-26(6)14-9-15-27(7)22-12-10-20(19(2)3)16-21(22)11-13-23(26)27/h11,16,19,22-23H,8-10,12-15,17-18H2,1-7H3