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

Systemtic Name: 3-[[(5E)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5E)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5E)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5E)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5E)-5-(4-allyloxy-3-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)OCC=C

InChI

InChI=1S/C21H18N2O5S/c1-3-9-28-16-8-7-13(10-17(16)27-2)11-18-19(24)23-21(29-18)22-15-6-4-5-14(12-15)20(25)26/h3-8,10-12H,1,9H2,2H3,(H,25,26)(H,22,23,24)/b18-11+