2-[3-[(2Z)-2-(5-oxidanylidenepyridin-2-ylidene)-3H-1,3-thiazol-5-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[(2Z)-2-(5-oxidanylidenepyridin-2-ylidene)-3H-1,3-thiazol-5-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[(2Z)-2-(5-oxo-2-pyridylidene)-3H-thiazol-5-yl]propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-[(2Z)-2-(5-oxo-2-pyridinylidene)-3H-thiazol-5-yl]propyl]amino]benzoic acid IUPAC Name: 2-[3-[(2Z)-2-(5-oxopyridin-2-ylidene)-3H-1,3-thiazol-5-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[(2Z)-2-(5-keto-2-pyridylidene)-4-thiazolin-5-yl]propanoylamino]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CNC(=C3C=CC(=O)C=N3)S2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CN/C(=C/3\C=CC(=O)C=N3)/S2

InChI

InChI=1S/C18H15N3O4S/c22-11-5-7-15(19-9-11)17-20-10-12(26-17)6-8-16(23)21-14-4-2-1-3-13(14)18(24)25/h1-5,7,9-10,20H,6,8H2,(H,21,23)(H,24,25)/b17-15-