2-[3-[5-(diethylamino)pent-3-yn-2-yl]thiophen-2-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-[5-(diethylamino)pent-3-yn-2-yl]thiophen-2-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-[4-(diethylamino)-1-methyl-but-2-ynyl]-2-thienyl]-2-oxo-acetic acid CAS Name: 2-[3-[5-(diethylamino)pent-3-yn-2-yl]-2-thiophenyl]-2-oxoacetic acid IUPAC Name: 2-[3-[5-(diethylamino)pent-3-yn-2-yl]thiophen-2-yl]-2-oxoacetic acid Traditional Name: 2-[3-[4-(diethylamino)-1-methyl-but-2-ynyl]-2-thienyl]-2-keto-acetic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)C1=C(SC=C1)C(=O)C(=O)O

Isomeric SMILES

CCN(CC)CC#CC(C)C1=C(SC=C1)C(=O)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-4-16(5-2)9-6-7-11(3)12-8-10-20-14(12)13(17)15(18)19/h8,10-11H,4-5,9H2,1-3H3,(H,18,19)