methyl 2-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]benzoate Traditional Name: 2-[[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(C)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(C)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C22H23N3O3S/c1-15-9-10-18(16(2)13-15)25-12-11-23-22(25)29-14-20(26)24(3)19-8-6-5-7-17(19)21(27)28-4/h5-13H,14H2,1-4H3