1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]isonipecotate Formula: C16H18NO4S- MolecularWeight: 320.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)N2CCC(CC2)C(=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)N2CCC(CC2)C(=O)[O-])O

InChI

InChI=1S/C16H19NO4S/c1-16(2,21)8-5-12-3-4-13(22-12)14(18)17-9-6-11(7-10-17)15(19)20/h3-4,11,21H,6-7,9-10H2,1-2H3,(H,19,20)/p-1