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

Systemtic Name: 3-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[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)(C#CC1=CC=C(S1)C(=O)NCCC(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)NCCC(=O)O)O

InChI

InChI=1S/C13H15NO4S/c1-13(2,18)7-5-9-3-4-10(19-9)12(17)14-8-6-11(15)16/h3-4,18H,6,8H2,1-2H3,(H,14,17)(H,15,16)