(5E)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazole-3-carboxylic acid

Systemtic Name: (5E)-5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazole-3-carboxylic acid Openeye Name: (5E)-5-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-(4-methylthiazol-2-yl)-1,2-dihydropyrazole-3-carboxylic acid CAS Name: (5E)-5-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-4-(4-methyl-2-thiazolyl)-1,2-dihydropyrazole-3-carboxylic acid IUPAC Name: (5E)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazole-3-carboxylic acid Traditional Name: (5E)-5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-(4-methylthiazol-2-yl)-3-pyrazoline-3-carboxylic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C(=O)O)C3=NC(=CS3)C)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C\2/C(=C(NN2)C(=O)O)C3=NC(=CS3)C)/C(=O)C=C1O

InChI

InChI=1S/C16H15N3O4S/c1-3-8-4-9(11(21)5-10(8)20)13-12(14(16(22)23)19-18-13)15-17-7(2)6-24-15/h4-6,18-20H,3H2,1-2H3,(H,22,23)/b13-9+