S-(4-methoxyphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate

Systemtic Name: S-(4-methoxyphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(4-methoxyphenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-(4-methoxyphenyl) ester IUPAC Name: S-(4-methoxyphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(4-methoxyphenyl) ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=O)SC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(C#C)NC(=O)SC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H15NO2S/c1-5-13(2,3)14-12(15)17-11-8-6-10(16-4)7-9-11/h1,6-9H,2-4H3,(H,14,15)