(1-cyano-1-phenoxathiin-2-yl-ethyl) benzoate

Systemtic Name: (1-cyano-1-phenoxathiin-2-yl-ethyl) benzoate Openeye Name: (1-cyano-1-phenoxathiin-2-yl-ethyl) benzoate CAS Name: benzoic acid [1-cyano-1-(2-phenoxathiinyl)ethyl] ester IUPAC Name: (1-cyano-1-phenoxathiin-2-ylethyl) benzoate Traditional Name: benzoic acid (1-cyano-1-phenoxathiin-2-yl-ethyl) ester Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C#N)(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H15NO3S/c1-22(14-23,26-21(24)15-7-3-2-4-8-15)16-11-12-18-20(13-16)27-19-10-6-5-9-17(19)25-18/h2-13H,1H3