S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 2-methylpropanethioate

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 2-methylpropanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S/c1-10(2)13(18)20-9-15(3,8-16)14-17-11-6-4-5-7-12(11)19-14/h4-7,10H,9H2,1-3H3