S-[3-[(2-methylpropan-2-yl)oxy]phenyl] N-prop-2-ynylcarbamothioate

Systemtic Name: S-[3-[(2-methylpropan-2-yl)oxy]phenyl] N-prop-2-ynylcarbamothioate Openeye Name: S-(3-tert-butoxyphenyl) N-prop-2-ynylcarbamothioate CAS Name: N-prop-2-ynylcarbamothioic acid S-[3-[(2-methylpropan-2-yl)oxy]phenyl] ester IUPAC Name: S-[3-[(2-methylpropan-2-yl)oxy]phenyl] N-prop-2-ynylcarbamothioate Traditional Name: N-propargylthiocarbamic acid S-(3-tert-butoxyphenyl) ester Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=CC=C1)SC(=O)NCC#C

Isomeric SMILES

CC(C)(C)OC1=CC(=CC=C1)SC(=O)NCC#C

InChI

InChI=1S/C14H17NO2S/c1-5-9-15-13(16)18-12-8-6-7-11(10-12)17-14(2,3)4/h1,6-8,10H,9H2,2-4H3,(H,15,16)