(2-methyl-5-pyrrolidin-1-yl-pent-3-yn-2-yl) 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: (2-methyl-5-pyrrolidin-1-yl-pent-3-yn-2-yl) 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: (1,1-dimethyl-4-pyrrolidin-1-yl-but-2-ynyl) 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetic acid [2-methyl-5-(1-pyrrolidinyl)pent-3-yn-2-yl] ester IUPAC Name: (2-methyl-5-pyrrolidin-1-ylpent-3-yn-2-yl) 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetic acid (1,1-dimethyl-4-pyrrolidino-but-2-ynyl) ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CCN1CCCC1)OC(=O)C(C2CCCCC2)(C3=CC=CS3)O

Isomeric SMILES

CC(C)(C#CCN1CCCC1)OC(=O)C(C2CCCCC2)(C3=CC=CS3)O

InChI

InChI=1S/C22H31NO3S/c1-21(2,13-9-16-23-14-6-7-15-23)26-20(24)22(25,19-12-8-17-27-19)18-10-4-3-5-11-18/h8,12,17-18,25H,3-7,10-11,14-16H2,1-2H3