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

Systemtic Name: (4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [4-(methylthio)benzyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-13(2)20(23)22-17-11-19(26-4)18(25-3)10-16(17)21(24)27-12-14-6-8-15(28-5)9-7-14/h6-11,13H,12H2,1-5H3,(H,22,23)