(3,7-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-yl) 2-methyl-2-pyridin-4-ylsulfanyl-propanoate

Systemtic Name: (3,7-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-yl) 2-methyl-2-pyridin-4-ylsulfanyl-propanoate Openeye Name: (3,7-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-yl) 2-methyl-2-(4-pyridylsulfanyl)propanoate CAS Name: 2-methyl-2-(pyridin-4-ylthio)propanoic acid (3,7-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-yl) ester IUPAC Name: (3,7-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-yl) 2-methyl-2-pyridin-4-ylsulfanylpropanoate Traditional Name: 2-methyl-2-(4-pyridylthio)propionic acid (3,7-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-yl) ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2CC(C(=CC2=C1)OC(=O)C(C)(C)SC3=CC=NC=C3)C

Isomeric SMILES

CC1CCC2CC(C(=CC2=C1)OC(=O)C(C)(C)SC3=CC=NC=C3)C

InChI

InChI=1S/C21H27NO2S/c1-14-5-6-16-12-15(2)19(13-17(16)11-14)24-20(23)21(3,4)25-18-7-9-22-10-8-18/h7-11,13-16H,5-6,12H2,1-4H3