S-ethyl 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanethioate

Systemtic Name: S-ethyl 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanethioate Openeye Name: S-ethyl 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]ethanethioate CAS Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]ethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanethioate Traditional Name: 2-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]ethanethioic acid S-ethyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCSC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H14N2O2S/c1-2-19-14(17)8-12-7-13(16-18-12)11-5-3-10(9-15)4-6-11/h3-6,12H,2,7-8H2,1H3