3-methyl-5-[(6-oxidanylidenepyran-3-yl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(6-oxidanylidenepyran-3-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[oxo-(6-oxo-3-pyranyl)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[(6-ketopyran-3-carbonyl)amino]-3-methyl-2-thenoic acid Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=COC(=O)C=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=COC(=O)C=C2)C(=O)O

InChI

InChI=1S/C12H9NO5S/c1-6-4-8(19-10(6)12(16)17)13-11(15)7-2-3-9(14)18-5-7/h2-5H,1H3,(H,13,15)(H,16,17)