4-[4-cyano-5-methyl-2-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)thiophen-3-yl]but-2-ynoic acid

Systemtic Name: 4-[4-cyano-5-methyl-2-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)thiophen-3-yl]but-2-ynoic acid Openeye Name: 4-[4-cyano-2-(3-hydroxy-3-oxo-prop-1-ynyl)-5-methyl-3-thienyl]but-2-ynoic acid CAS Name: 4-[4-cyano-2-(3-hydroxy-3-oxoprop-1-ynyl)-5-methyl-3-thiophenyl]-2-butynoic acid IUPAC Name: 4-[4-cyano-2-(3-hydroxy-3-oxoprop-1-ynyl)-5-methylthiophen-3-yl]but-2-ynoic acid Traditional Name: 4-[4-cyano-2-(3-hydroxy-3-keto-prop-1-ynyl)-5-methyl-3-thienyl]but-2-ynoic acid Formula: C13H7NO4S MolecularWeight: 273.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7NO4S/c1-8-10(7-14)9(3-2-4-12(15)16)11(19-8)5-6-13(17)18/h3H2,1H3,(H,15,16)(H,17,18)