5-(diethylamino)pent-3-yn-2-yl 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: 5-(diethylamino)pent-3-yn-2-yl 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [4-(diethylamino)-1-methyl-but-2-ynyl] 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetic acid 5-(diethylamino)pent-3-yn-2-yl ester IUPAC Name: 5-(diethylamino)pent-3-yn-2-yl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetic acid [4-(diethylamino)-1-methyl-but-2-ynyl] ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)OC(=O)C(C1CCCCC1)(C2=CC=CS2)O

Isomeric SMILES

CCN(CC)CC#CC(C)OC(=O)C(C1CCCCC1)(C2=CC=CS2)O

InChI

InChI=1S/C21H31NO3S/c1-4-22(5-2)15-9-11-17(3)25-20(23)21(24,19-14-10-16-26-19)18-12-7-6-8-13-18/h10,14,16-18,24H,4-8,12-13,15H2,1-3H3