methyl 4-[2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2,6-diethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2,6-diethylphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-4-16-7-6-8-17(5-2)21(16)26-14-13-24-23(26)30-15-20(27)25-19-11-9-18(10-12-19)22(28)29-3/h6-14H,4-5,15H2,1-3H3,(H,25,27)