[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)SC)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)SC)Cl)C

InChI

InChI=1S/C20H22ClNO3S/c1-11-8-12(2)18(13(3)9-11)22-19(23)14(4)25-20(24)16-10-15(26-5)6-7-17(16)21/h6-10,14H,1-5H3,(H,22,23)