methyl 3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]-4-methyl-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)NC3=C(C=CC(=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C)C

InChI

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