(4-methylsulfanylphenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethoxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(pivaloylamino)benzoic acid [4-(methylthio)benzyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)SC)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)SC)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-22(2,3)21(25)23-17-12-19(27-5)18(26-4)11-16(17)20(24)28-13-14-7-9-15(29-6)10-8-14/h7-12H,13H2,1-6H3,(H,23,25)