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

Systemtic Name: 2-[[(5Z)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 2-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylene)thiazol-2-yl]amino]benzoic acid CAS Name: 2-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-thiazolyl]amino]benzoic acid IUPAC Name: 2-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 2-[[(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=C(C(=C1)C(=O)O)NC2=NC(=O)C(=CC3=CC=CN3)S2

Isomeric SMILES

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

InChI

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