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

Systemtic Name: 3-[[5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(3-bromo-5-ethoxy-4-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C20H17BrN2O5S MolecularWeight: 477.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)Br)OC

InChI

InChI=1S/C20H17BrN2O5S/c1-3-28-15-8-11(7-14(21)17(15)27-2)9-16-18(24)23-20(29-16)22-13-6-4-5-12(10-13)19(25)26/h4-10H,3H2,1-2H3,(H,25,26)(H,22,23,24)