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

Systemtic Name: 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]isonipecotic acid Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

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)