ethyl 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC(=CC(=C3)C)C

InChI

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