3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic acid

Systemtic Name: 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic acid Openeye Name: 3-(1,1-diethylprop-2-ynylamino)thiophene-2-carboxylic acid CAS Name: 3-(3-ethylpent-1-yn-3-ylamino)-2-thiophenecarboxylic acid IUPAC Name: 3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic acid Traditional Name: 3-(1,1-diethylprop-2-ynylamino)-2-thenoic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC1=C(SC=C1)C(=O)O

Isomeric SMILES

CCC(CC)(C#C)NC1=C(SC=C1)C(=O)O

InChI

InChI=1S/C12H15NO2S/c1-4-12(5-2,6-3)13-9-7-8-16-10(9)11(14)15/h1,7-8,13H,5-6H2,2-3H3,(H,14,15)