(2E)-2-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4,5-dicarboxylic acid

Systemtic Name: (2E)-2-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4,5-dicarboxylic acid Openeye Name: (2E)-2-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3H-thiazole-4,5-dicarboxylic acid CAS Name: (2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-3H-thiazole-4,5-dicarboxylic acid IUPAC Name: (2E)-2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-thiazole-4,5-dicarboxylic acid Traditional Name: (2E)-2-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-4-thiazoline-4,5-dicarboxylic acid Formula: C12H9NO5S MolecularWeight: 279.26856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2NC(=C(S2)C(=O)O)C(=O)O)C(=O)C=C1

Isomeric SMILES

CC1=C/C(=C\2/NC(=C(S2)C(=O)O)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C12H9NO5S/c1-5-2-3-7(14)6(4-5)10-13-8(11(15)16)9(19-10)12(17)18/h2-4,13H,1H3,(H,15,16)(H,17,18)/b10-6+