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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-13(2)21(26)24-17-11-19(29-4)18(28-3)10-16(17)22(27)30-12-20(25)23-14-7-6-8-15(9-14)31-5/h6-11,13H,12H2,1-5H3,(H,23,25)(H,24,26)