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

Systemtic Name: 3-[[(5Z)-5-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 3-[[(5Z)-5-[(5-bromo-2-prop-2-ynoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoate CAS Name: 3-[[(5Z)-5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoate IUPAC Name: 3-[[(5Z)-5-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 3-[[(5Z)-5-(5-bromo-2-propargyloxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoate Formula: C20H12BrN2O4S- MolecularWeight: 456.28928

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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=C\2/C(=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)/p-1/b17-11-