5-[[(Z)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]amino]-3-methyl-4-(3-oxidanylprop-2-ynoyl)thiophene-2-carboperoxoic acid

Systemtic Name: 5-[[(Z)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]amino]-3-methyl-4-(3-oxidanylprop-2-ynoyl)thiophene-2-carboperoxoic acid Openeye Name: 5-[[(Z)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]amino]-4-(3-hydroxyprop-2-ynoyl)-3-methyl-thiophene-2-carboperoxoic acid CAS Name: 5-[[(Z)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]amino]-4-(3-hydroxy-1-oxoprop-2-ynyl)-3-methyl-2-thiophenecarboperoxoic acid IUPAC Name: 5-[[(Z)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]amino]-4-(3-hydroxyprop-2-ynoyl)-3-methylthiophene-2-carboperoxoic acid Traditional Name: 5-[[(Z)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]amino]-4-(3-hydroxypropioloyl)-3-methyl-thiophene-2-carboperoxoic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C#CO)NC=C(C#N)C(=O)C(C)(C)C)C(=O)OO

Isomeric SMILES

CC1=C(SC(=C1C(=O)C#CO)N/C=C(/C#N)\C(=O)C(C)(C)C)C(=O)OO

InChI

InChI=1S/C17H16N2O6S/c1-9-12(11(21)5-6-20)15(26-13(9)16(23)25-24)19-8-10(7-18)14(22)17(2,3)4/h8,19-20,24H,1-4H3/b10-8-