methyl 3-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-9-15(2)11-18(10-14)24-8-7-22-21(24)28-13-19(25)23-17-6-4-5-16(12-17)20(26)27-3/h4-12H,13H2,1-3H3,(H,23,25)