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

Systemtic Name: 4-[[(5E)-4-oxidanylidene-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[(5E)-5-[(2-allyloxyphenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[(5E)-4-oxo-5-[(2-prop-2-enoxyphenyl)methylidene]-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[(5E)-4-oxo-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[(5E)-5-(2-allyloxybenzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=CCOC1=CC=CC=C1/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16N2O4S/c1-2-11-26-16-6-4-3-5-14(16)12-17-18(23)22-20(27-17)21-15-9-7-13(8-10-15)19(24)25/h2-10,12H,1,11H2,(H,24,25)(H,21,22,23)/b17-12+