S-[2-(1,3-benzoxazol-2-yl)-2-phenyl-propyl] 2-methylpropanethioate

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2-phenyl-propyl] 2-methylpropanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2-phenyl-propyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-phenylpropyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2-phenylpropyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2-phenyl-propyl] ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCC(C)(C1=CC=CC=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C(=O)SCC(C)(C1=CC=CC=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21NO2S/c1-14(2)18(22)24-13-20(3,15-9-5-4-6-10-15)19-21-16-11-7-8-12-17(16)23-19/h4-12,14H,13H2,1-3H3