methyl 4-[(2E)-2-[(2-chloranylpyrimidin-4-yl)-cyano-methylidene]-3H-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[(2E)-2-[(2-chloranylpyrimidin-4-yl)-cyano-methylidene]-3H-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[(2E)-2-[(2-chloropyrimidin-4-yl)-cyano-methylene]-3H-thiazol-4-yl]benzoate CAS Name: 4-[(2E)-2-[(2-chloro-4-pyrimidinyl)-cyanomethylidene]-3H-thiazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2E)-2-[(2-chloropyrimidin-4-yl)-cyanomethylidene]-3H-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[(2E)-2-[(2-chloropyrimidin-4-yl)-cyano-methylene]-4-thiazolin-4-yl]benzoic acid methyl ester Formula: C17H11ClN4O2S MolecularWeight: 370.81284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=C(C#N)C3=NC(=NC=C3)Cl)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C3=NC(=NC=C3)Cl)/N2

InChI

InChI=1S/C17H11ClN4O2S/c1-24-16(23)11-4-2-10(3-5-11)14-9-25-15(21-14)12(8-19)13-6-7-20-17(18)22-13/h2-7,9,21H,1H3/b15-12-