[5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate hydrochloride

Systemtic Name: [5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate hydrochloride Openeye Name: [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate hydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [5-(diethylamino)-2-methylpent-3-yn-2-yl] ester hydrochloride IUPAC Name: [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate hydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] ester hydrochloride Formula: C21H32ClNO3S MolecularWeight: 414.00168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCC1)(C2=CC=CS2)O.Cl

Isomeric SMILES

CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCC1)(C2=CC=CS2)O.Cl

InChI

InChI=1S/C21H31NO3S.ClH/c1-5-22(6-2)15-10-14-20(3,4)25-19(23)21(24,17-11-7-8-12-17)18-13-9-16-26-18;/h9,13,16-17,24H,5-8,11-12,15H2,1-4H3;1H