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

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-ethyl] 2-methylpropanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-ethyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyanoethyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyanoethyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyano-ethyl] ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S/c1-9(2)14(17)19-8-10(7-15)13-16-11-5-3-4-6-12(11)18-13/h3-6,9-10H,8H2,1-2H3