1-azabicyclo[2.2.2]octan-3-yl 3-methyl-2-oxidanyl-2-thiophen-2-yl-but-3-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-methyl-2-oxidanyl-2-thiophen-2-yl-but-3-enoate Openeye Name: quinuclidin-3-yl 2-hydroxy-3-methyl-2-(2-thienyl)but-3-enoate CAS Name: 2-hydroxy-3-methyl-2-thiophen-2-yl-3-butenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-3-methyl-2-thiophen-2-ylbut-3-enoate Traditional Name: 2-hydroxy-3-methyl-2-(2-thienyl)but-3-enoic acid quinuclidin-3-yl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C1=CC=CS1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CC(=C)C(C1=CC=CS1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C16H21NO3S/c1-11(2)16(19,14-4-3-9-21-14)15(18)20-13-10-17-7-5-12(13)6-8-17/h3-4,9,12-13,19H,1,5-8,10H2,2H3