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(2S)-Methyl 2-[(5-benzoyl-3-nitro-2-thienyl)amino]-3-phenylpropionate
SpectraBase Compound ID 4OhIMWLubn4
InChI InChI=1S/C21H18N2O5S/c1-28-21(25)16(12-14-8-4-2-5-9-14)22-20-17(23(26)27)13-18(29-20)19(24)15-10-6-3-7-11-15/h2-11,13,16,22H,12H2,1H3/t16-/m0/s1
InChIKey ZXEDAHNCHMGJPE-INIZCTEOSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3NnzMb2vnK
Name (2S)-Methyl 2-[(5-benzoyl-3-nitro-2-thienyl)amino]-3-phenylpropionate
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Formula C21H18N2O5S
InChI InChI=1S/C21H18N2O5S/c1-28-21(25)16(12-14-8-4-2-5-9-14)22-20-17(23(26)27)13-18(29-20)19(24)15-10-6-3-7-11-15/h2-11,13,16,22H,12H2,1H3/t16-/m0/s1
InChIKey ZXEDAHNCHMGJPE-INIZCTEOSA-N
Molecular Weight 410.444 g/mol
SMILES N(c1c(cc(C(=O)c2ccccc2)s1)N(=O)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-056r-9700000000-c07f82babfa2050a172f
Source of Spectrum O1-57-104-14
Synonyms Methyl (2S)-2-[(5-benzoyl-3-nitro-2-thienyl)amino]-3-phenylpropanoate
Wiley ID 1591416