ethyl 4-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoate Openeye Name: ethyl 4-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoate Traditional Name: 4-[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]butanoylamino]benzoic acid ethyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=C(N2)C)CCSC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=C(N2)C)CCSC

InChI

InChI=1S/C20H27N3O3S2/c1-5-17(28-20-21-13(3)16(23-20)11-12-27-4)18(24)22-15-9-7-14(8-10-15)19(25)26-6-2/h7-10,17H,5-6,11-12H2,1-4H3,(H,21,23)(H,22,24)