S-[2-(1,3-benzoxazol-2-yl)-2-methyl-propyl] ethanethioate

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-methyl-propyl] ethanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-methyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-methylpropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-methylpropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-methyl-propyl] ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C)(C)C1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(=O)SCC(C)(C)C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H15NO2S/c1-9(15)17-8-13(2,3)12-14-10-6-4-5-7-11(10)16-12/h4-7H,8H2,1-3H3