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

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ethanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2S/c1-9(16)18-8-13(2,7-14)12-15-10-5-3-4-6-11(10)17-12/h3-6H,8H2,1-2H3