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

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 2-phenylethanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-cyanopropyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-cyano-propyl] ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CC1=CC=CC=C1)(C#N)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(CSC(=O)CC1=CC=CC=C1)(C#N)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H16N2O2S/c1-19(12-20,18-21-15-9-5-6-10-16(15)23-18)13-24-17(22)11-14-7-3-2-4-8-14/h2-10H,11,13H2,1H3