methyl 4-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C)C

InChI

InChI=1S/C20H23NO3S/c1-12-10-13(2)15(4)19(14(12)3)25-11-18(22)21-17-8-6-16(7-9-17)20(23)24-5/h6-10H,11H2,1-5H3,(H,21,22)