3-(1-thiophen-2-ylpent-2-ynylcarbamoyl)oxirane-2-carboxylic acid

Systemtic Name: 3-(1-thiophen-2-ylpent-2-ynylcarbamoyl)oxirane-2-carboxylic acid Openeye Name: 3-[1-(2-thienyl)pent-2-ynylcarbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[oxo-(1-thiophen-2-ylpent-2-ynylamino)methyl]-2-oxiranecarboxylic acid IUPAC Name: 3-(1-thiophen-2-ylpent-2-ynylcarbamoyl)oxirane-2-carboxylic acid Traditional Name: 3-[1-(2-thienyl)pent-2-ynylcarbamoyl]oxirane-2-carboxylic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC=CS1)NC(=O)C2C(O2)C(=O)O

Isomeric SMILES

CCC#CC(C1=CC=CS1)NC(=O)C2C(O2)C(=O)O

InChI

InChI=1S/C13H13NO4S/c1-2-3-5-8(9-6-4-7-19-9)14-12(15)10-11(18-10)13(16)17/h4,6-8,10-11H,2H2,1H3,(H,14,15)(H,16,17)