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

Systemtic Name: 2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propionic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(S1)C#CC(C)(C)O

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(S1)C#CC(C)(C)O

InChI

InChI=1S/C13H15NO4S/c1-8(12(16)17)14-11(15)10-5-4-9(19-10)6-7-13(2,3)18/h4-5,8,18H,1-3H3,(H,14,15)(H,16,17)