5-ethanoyl-3-methyl-2-(3-thiophen-2-ylpropyl)-1,3-oxazol-3-ium-4-olate

Systemtic Name: 5-ethanoyl-3-methyl-2-(3-thiophen-2-ylpropyl)-1,3-oxazol-3-ium-4-olate Openeye Name: 5-acetyl-3-methyl-2-[3-(2-thienyl)propyl]oxazol-3-ium-4-olate CAS Name: 5-acetyl-3-methyl-2-(3-thiophen-2-ylpropyl)-4-oxazol-3-iumolate IUPAC Name: 5-acetyl-3-methyl-2-(3-thiophen-2-ylpropyl)-1,3-oxazol-3-ium-4-olate Traditional Name: 5-acetyl-3-methyl-2-[3-(2-thienyl)propyl]oxazol-3-ium-4-olate Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+](=C(O1)CCCC2=CC=CS2)C)[O-]

Isomeric SMILES

CC(=O)C1=C([N+](=C(O1)CCCC2=CC=CS2)C)[O-]

InChI

InChI=1S/C13H15NO3S/c1-9(15)12-13(16)14(2)11(17-12)7-3-5-10-6-4-8-18-10/h4,6,8H,3,5,7H2,1-2H3