ethyl 5-chloranyl-2-(2-phenylethynyl)-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-chloranyl-2-(2-phenylethynyl)-1,3-thiazole-4-carboxylate Openeye Name: ethyl 5-chloro-2-(2-phenylethynyl)thiazole-4-carboxylate CAS Name: 5-chloro-2-(2-phenylethynyl)-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-(2-phenylethynyl)-1,3-thiazole-4-carboxylate Traditional Name: 5-chloro-2-(2-phenylethynyl)thiazole-4-carboxylic acid ethyl ester Formula: C14H10ClNO2S MolecularWeight: 291.7527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)C#CC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)C#CC2=CC=CC=C2)Cl

InChI

InChI=1S/C14H10ClNO2S/c1-2-18-14(17)12-13(15)19-11(16-12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3