[(5S,7R)-3-(methylsulfanylmethoxy)-1-adamantyl] 2-(trifluoromethyl)prop-2-enoate

Systemtic Name: [(5S,7R)-3-(methylsulfanylmethoxy)-1-adamantyl] 2-(trifluoromethyl)prop-2-enoate Openeye Name: [(5S,7R)-3-(methylsulfanylmethoxy)-1-adamantyl] 2-(trifluoromethyl)prop-2-enoate CAS Name: 2-(trifluoromethyl)-2-propenoic acid [(5S,7R)-3-[(methylthio)methoxy]-1-adamantyl] ester IUPAC Name: [(5S,7R)-3-(methylsulfanylmethoxy)-1-adamantyl] 2-(trifluoromethyl)prop-2-enoate Traditional Name: 2-(trifluoromethyl)acrylic acid [(5S,7R)-3-[(methylthio)methoxy]-1-adamantyl] ester Formula: C16H21F3O3S MolecularWeight: 350.39635

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Descriptors Computed from Structure

Canonical SMILES:

CSCOC12CC3CC(C1)CC(C3)(C2)OC(=O)C(=C)C(F)(F)F

Isomeric SMILES

CSCOC12C[C@H]3C[C@@H](C1)CC(C3)(C2)OC(=O)C(=C)C(F)(F)F

InChI

InChI=1S/C16H21F3O3S/c1-10(16(17,18)19)13(20)22-15-6-11-3-12(7-15)5-14(4-11,8-15)21-9-23-2/h11-12H,1,3-9H2,2H3/t11-,12+,14?,15?