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

Systemtic Name: S-propan-2-yl 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanethioate Openeye Name: S-isopropyl 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]ethanethioate CAS Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]ethanethioic acid S-propan-2-yl ester IUPAC Name: S-propan-2-yl 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-isopropyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S/c1-10(2)20-15(18)8-13-7-14(17-19-13)12-5-3-11(9-16)4-6-12/h3-6,10,13H,7-8H2,1-2H3