3-[[(5E)-5-[(5-bromanylfuran-2-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]-4-methyl-benzoate

Systemtic Name: 3-[[(5E)-5-[(5-bromanylfuran-2-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]-4-methyl-benzoate Openeye Name: 3-[[(5E)-5-[(5-bromo-2-furyl)methylene]-4-oxo-thiazol-2-yl]amino]-4-methyl-benzoate CAS Name: 3-[[(5E)-5-[(5-bromo-2-furanyl)methylidene]-4-oxo-2-thiazolyl]amino]-4-methylbenzoate IUPAC Name: 3-[[(5E)-5-[(5-bromofuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-4-methylbenzoate Traditional Name: 3-[[(5E)-5-[(5-bromo-2-furyl)methylene]-4-keto-2-thiazolin-2-yl]amino]-4-methyl-benzoate Formula: C16H10BrN2O4S- MolecularWeight: 406.2306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC(=O)C(=CC3=CC=C(O3)Br)S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC(=O)/C(=C\C3=CC=C(O3)Br)/S2

InChI

InChI=1S/C16H11BrN2O4S/c1-8-2-3-9(15(21)22)6-11(8)18-16-19-14(20)12(24-16)7-10-4-5-13(17)23-10/h2-7H,1H3,(H,21,22)(H,18,19,20)/p-1/b12-7+