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

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 3-methylbutanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 3-methylbutanethioate CAS Name: 3-methylbutanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] 3-methylbutanethioate Traditional Name: 3-methylbutanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-11(2)8-14(19)21-10-16(3,9-17)15-18-12-6-4-5-7-13(12)20-15/h4-7,11H,8,10H2,1-3H3