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

Systemtic Name: S-tert-butyl 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanethioate Openeye Name: S-tert-butyl 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]ethanethioate CAS Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 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-tert-butyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-16(2,3)21-15(19)9-13-8-14(18-20-13)12-6-4-11(10-17)5-7-12/h4-7,13H,8-9H2,1-3H3