6-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]hexanoate

Systemtic Name: 6-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]hexanoate Openeye Name: 6-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]hexanoate CAS Name: 6-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]hexanoate IUPAC Name: 6-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]hexanoate Traditional Name: 6-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]hexanoate Formula: C16H20NO4S- MolecularWeight: 322.3993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-16(2,21)10-9-12-7-8-13(22-12)15(20)17-11-5-3-4-6-14(18)19/h7-8,21H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)/p-1