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

Systemtic Name: methyl 4-[[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C)C

InChI

InChI=1S/C21H25NO3S/c1-13-10-14(2)16(4)20(15(13)3)26-12-19(23)22-11-17-6-8-18(9-7-17)21(24)25-5/h6-10H,11-12H2,1-5H3,(H,22,23)