[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethoxybenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(pivaloylamino)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=CC=C2)SC)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=CC=C2)SC)OC)OC

InChI

InChI=1S/C23H28N2O6S/c1-23(2,3)22(28)25-17-12-19(30-5)18(29-4)11-16(17)21(27)31-13-20(26)24-14-8-7-9-15(10-14)32-6/h7-12H,13H2,1-6H3,(H,24,26)(H,25,28)