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

Systemtic Name: 3-[[(5Z)-5-[(4-carboxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(4-carboxyphenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(4-carboxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(4-carboxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-(4-carboxybenzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C18H12N2O5S MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O5S/c21-15-14(8-10-4-6-11(7-5-10)16(22)23)26-18(20-15)19-13-3-1-2-12(9-13)17(24)25/h1-9H,(H,22,23)(H,24,25)(H,19,20,21)/b14-8-