[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C21H25NO4S/c1-21(2,3)15-9-11-16(12-10-15)25-14-20(24)26-13-19(23)22-17-7-5-6-8-18(17)27-4/h5-12H,13-14H2,1-4H3,(H,22,23)