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

Systemtic Name: 3-[[5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(5-bromo-2-propargyloxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C20H13BrN2O4S MolecularWeight: 457.29722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN2O4S/c1-2-8-27-16-7-6-14(21)9-13(16)11-17-18(24)23-20(28-17)22-15-5-3-4-12(10-15)19(25)26/h1,3-7,9-11H,8H2,(H,25,26)(H,22,23,24)