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

Systemtic Name: 3-[[(5Z)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylene)thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5Z)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thiazolin-2-yl]amino]benzoic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC=CN3)S2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)/C(=C/C3=CC=CN3)/S2)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c19-13-12(8-10-5-2-6-16-10)22-15(18-13)17-11-4-1-3-9(7-11)14(20)21/h1-8,16H,(H,20,21)(H,17,18,19)/b12-8-