methyl 4-[[2-(2,4,6-trimethylphenyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(2,4,6-trimethylphenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(2,4,6-trimethylphenyl)thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(mesitylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

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