methyl 2-(3-oxidanylidenebut-1-ynyl)-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-(3-oxidanylidenebut-1-ynyl)-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-(3-oxobut-1-ynyl)thiazole-4-carboxylate CAS Name: 2-(3-oxobut-1-ynyl)-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-oxobut-1-ynyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-ketobut-1-ynyl)thiazole-4-carboxylic acid methyl ester Formula: C9H7NO3S MolecularWeight: 209.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C#CC1=NC(=CS1)C(=O)OC

Isomeric SMILES

CC(=O)C#CC1=NC(=CS1)C(=O)OC

InChI

InChI=1S/C9H7NO3S/c1-6(11)3-4-8-10-7(5-14-8)9(12)13-2/h5H,1-2H3