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2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine

View entire compound with spectra: 1 MS (GC)

2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine
SpectraBase Compound ID EeL6mX2zyYW
InChI InChI=1S/C22H20N4O3S/c1-3-29-21(27)17-13-18-19(25-20(30-18)14-7-5-4-6-8-14)26-22(24-17)23-15-9-11-16(28-2)12-10-15/h4-13H,3H2,1-2H3,(H2,23,24,26)
InChIKey UBZCKHXWDYSQKM-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C22H20N4O3S
Exact Mass 420.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3STpz58HPhs
Name 2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine
Alternate Name(s) 2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)-amino]-thiazaolo[4,5-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O3S
InChI InChI=1S/C22H20N4O3S/c1-3-29-21(27)17-13-18-19(25-20(30-18)14-7-5-4-6-8-14)26-22(24-17)23-15-9-11-16(28-2)12-10-15/h4-13H,3H2,1-2H3,(H2,23,24,26)
InChIKey UBZCKHXWDYSQKM-UHFFFAOYSA-N
Molecular Weight 420.487 g/mol
SMILES N1C(=Cc2sc(nc2N=C1Nc1ccc(cc1)OC)-c1ccccc1)C(=O)OCC
SPLASH splash10-00di-0011900000-d792ce8a589adf027e26
Source of Spectrum J-58-5268-10
Wiley ID 1377894