methyl 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(pivaloylamino)phenyl]thio]methyl]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-20(2,3)19(23)21-16-10-5-6-11-17(16)25-13-14-8-7-9-15(12-14)18(22)24-4/h5-12H,13H2,1-4H3,(H,21,23)