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

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 3-phenylpropanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CCC1=CC=CC=C1)(C#N)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(CSC(=O)CCC1=CC=CC=C1)(C#N)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N2O2S/c1-20(13-21,19-22-16-9-5-6-10-17(16)24-19)14-25-18(23)12-11-15-7-3-2-4-8-15/h2-10H,11-12,14H2,1H3