3-[[(5Z)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(5Z)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5Z)-4-oxo-5-(4-pyridylmethylene)thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5Z)-4-keto-5-(4-pyridylmethylene)-2-thiazolin-2-yl]amino]benzoic acid Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC=NC=C3)S2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)/C(=C/C3=CC=NC=C3)/S2)C(=O)O

InChI

InChI=1S/C16H11N3O3S/c20-14-13(8-10-4-6-17-7-5-10)23-16(19-14)18-12-3-1-2-11(9-12)15(21)22/h1-9H,(H,21,22)(H,18,19,20)/b13-8-