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Benzoic acid, 4-[3-[(1H-1,3-benzimidazol-2-ylmethyl)thio]-2,5-dioxo-1-pyrrolidinyl]-, ethyl ester
SpectraBase Compound ID F3zYZU8aA4j
InChI InChI=1S/C21H19N3O4S/c1-2-28-21(27)13-7-9-14(10-8-13)24-19(25)11-17(20(24)26)29-12-18-22-15-5-3-4-6-16(15)23-18/h3-10,17H,2,11-12H2,1H3,(H,22,23)
InChIKey ZWYMZYZDIWHUOJ-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PHmBM1LmgT
Name Benzoic acid, 4-[3-[(1H-1,3-benzimidazol-2-ylmethyl)thio]-2,5-dioxo-1-pyrrolidinyl]-, ethyl ester
Alternate Name(s) 4-[3-(1H-benzimidazol-2-ylmethylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester Ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate Ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoate Ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
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Formula C21H19N3O4S
InChI InChI=1S/C21H19N3O4S/c1-2-28-21(27)13-7-9-14(10-8-13)24-19(25)11-17(20(24)26)29-12-18-22-15-5-3-4-6-16(15)23-18/h3-10,17H,2,11-12H2,1H3,(H,22,23)
InChIKey ZWYMZYZDIWHUOJ-UHFFFAOYSA-N
Molecular Weight 409.460 g/mol
SMILES [nH]1c(nc2c1cccc2)CSC1CC(N(c2ccc(cc2)C(OCC)=O)C1=O)=O
SPLASH splash10-0w29-9850000000-5a4614fa97c340412c51
Source of Spectrum IY-1-4674-8
Wiley ID 1654731