S-(3-methoxyphenyl) N-pent-4-ynylcarbamothioate

Systemtic Name: S-(3-methoxyphenyl) N-pent-4-ynylcarbamothioate Openeye Name: S-(3-methoxyphenyl) N-pent-4-ynylcarbamothioate CAS Name: N-pent-4-ynylcarbamothioic acid S-(3-methoxyphenyl) ester IUPAC Name: S-(3-methoxyphenyl) N-pent-4-ynylcarbamothioate Traditional Name: N-pent-4-ynylthiocarbamic acid S-(3-methoxyphenyl) ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC(=O)NCCCC#C

Isomeric SMILES

COC1=CC(=CC=C1)SC(=O)NCCCC#C

InChI

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