[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (2-keto-2-mesityl-ethyl) ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C20H19NO4S/c1-12-8-13(2)19(14(3)9-12)16(22)10-24-18(23)11-26-20-21-15-6-4-5-7-17(15)25-20/h4-9H,10-11H2,1-3H3