4-[[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[(5E)-5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[(5E)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[(5E)-4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thiazolin-2-yl]amino]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C=CC=C1/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3S/c1-19-8-2-3-12(19)9-13-14(20)18-16(23-13)17-11-6-4-10(5-7-11)15(21)22/h2-9H,1H3,(H,21,22)(H,17,18,20)/b13-9+