S-(3-ethoxyphenyl) N-but-3-yn-2-ylcarbamothioate

Systemtic Name: S-(3-ethoxyphenyl) N-but-3-yn-2-ylcarbamothioate Openeye Name: S-(3-ethoxyphenyl) N-(1-methylprop-2-ynyl)carbamothioate CAS Name: N-but-3-yn-2-ylcarbamothioic acid S-(3-ethoxyphenyl) ester IUPAC Name: S-(3-ethoxyphenyl) N-but-3-yn-2-ylcarbamothioate Traditional Name: N-(1-methylprop-2-ynyl)thiocarbamic acid S-m-phenetyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SC(=O)NC(C)C#C

Isomeric SMILES

CCOC1=CC(=CC=C1)SC(=O)NC(C)C#C

InChI

InChI=1S/C13H15NO2S/c1-4-10(3)14-13(15)17-12-8-6-7-11(9-12)16-5-2/h1,6-10H,5H2,2-3H3,(H,14,15)