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

Systemtic Name: [5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate hydrochloride Openeye Name: [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] 2-hydroxy-2-phenyl-2-(2-thienyl)acetate hydrochloride CAS Name: 2-hydroxy-2-phenyl-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-hydroxy-2-phenyl-2-thiophen-2-ylacetate hydrochloride Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] ester hydrochloride Formula: C22H28ClNO3S MolecularWeight: 421.98062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)(C)OC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.Cl

Isomeric SMILES

CCN(CC)CC#CC(C)(C)OC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.Cl

InChI

InChI=1S/C22H27NO3S.ClH/c1-5-23(6-2)16-11-15-21(3,4)26-20(24)22(25,19-14-10-17-27-19)18-12-8-7-9-13-18;/h7-10,12-14,17,25H,5-6,16H2,1-4H3;1H