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Methyl 4-(2,5-dioxo-3-{4-[2-(thiophen-2-yl)ethyl]piperazin-1-yl}pyrrolidin-1-yl)benzoate
SpectraBase Compound ID 3DkbxftG7qy
InChI InChI=1S/C22H25N3O4S/c1-29-22(28)16-4-6-17(7-5-16)25-20(26)15-19(21(25)27)24-12-10-23(11-13-24)9-8-18-3-2-14-30-18/h2-7,14,19H,8-13,15H2,1H3
InChIKey MJTUDUFQGGDEPA-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C22H25N3O4S
Exact Mass 427.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7a4NiTBwQVl
Name Methyl 4-(2,5-dioxo-3-{4-[2-(thiophen-2-yl)ethyl]piperazin-1-yl}pyrrolidin-1-yl)benzoate
Alternate Name(s) 4-[2,5-dioxo-3-[4-(2-thiophen-2-ylethyl)-1-piperazinyl]-1-pyrrolidinyl]benzoic acid methyl ester Methyl 4-[2,5-dioxo-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrrolidin-1-yl]benzoate Methyl 4-[2,5-dioxo-3-[4-[2-(2-thienyl)ethyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate Methyl 4-[2,5-bis(oxidanylidene)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrrolidin-1-yl]benzoate
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Formula C22H25N3O4S
InChI InChI=1S/C22H25N3O4S/c1-29-22(28)16-4-6-17(7-5-16)25-20(26)15-19(21(25)27)24-12-10-23(11-13-24)9-8-18-3-2-14-30-18/h2-7,14,19H,8-13,15H2,1H3
InChIKey MJTUDUFQGGDEPA-UHFFFAOYSA-N
Molecular Weight 427.519 g/mol
SMILES C1(=O)N(c2ccc(cc2)C(OC)=O)C(CC1N1CCN(CC1)CCc1sccc1)=O
SPLASH splash10-0002-9101000000-552172cf7b58e9de91b0
Source of Spectrum IY-2-4970-6
Wiley ID 1657689