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Benzoic acid, 4-[[2-[[4-methyl-5-(1-methylethyl)-1H-imidazol-2-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID H47q0pkZljp
InChI InChI=1S/C18H23N3O3S/c1-5-24-17(23)13-6-8-14(9-7-13)20-15(22)10-25-18-19-12(4)16(21-18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKey RLSXABHAENESAH-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C18H23N3O3S
Exact Mass 361.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YymOSA4HpC
Name Benzoic acid, 4-[[2-[[4-methyl-5-(1-methylethyl)-1H-imidazol-2-yl]thio]acetyl]amino]-, ethyl ester
Alternate Name(s) Ethyl 4-(2-{[4-methyl-5-(propan-2-yl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate 4-[[2-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[[2-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Ethyl 4-[[2-[(4-isopropyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Ethyl 4-[2-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate
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Formula C18H23N3O3S
InChI InChI=1S/C18H23N3O3S/c1-5-24-17(23)13-6-8-14(9-7-13)20-15(22)10-25-18-19-12(4)16(21-18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKey RLSXABHAENESAH-UHFFFAOYSA-N
Molecular Weight 361.460 g/mol
SMILES [nH]1c(SCC(=O)Nc2ccc(cc2)C(OCC)=O)nc(c1C(C)C)C
SPLASH splash10-05g0-1900000000-a04e8a3ccfa35d358eca
Source of Spectrum IY-2-4982-0
Wiley ID 1657803