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2-Butenoic acid, 3-amino-2-[2-[[5-(1-naphthalenylmethyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-, ethyl ester
SpectraBase Compound ID 5H9ytqZnNRA
InChI InChI=1S/C21H21N3O4S/c1-3-27-20(26)19(13(2)22)17(25)12-29-21-24-23-18(28-21)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12,22H2,1-2H3/b19-13+
InChIKey FLZMKGKLLMOEEV-CPNJWEJPSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CTX5i7Ii1P
Name 2-Butenoic acid, 3-amino-2-[2-[[5-(1-naphthalenylmethyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-, ethyl ester
Alternate Name(s) (E)-3-amino-2-[2-[[5-(1-naphthalenylmethyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]-2-butenoic acid ethyl ester Ethyl (E)-3-amino-2-[2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-2-enoate Ethyl (E)-3-amino-2-[2-[[5-(1-naphthylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-2-enoate Ethyl (E)-3-azanyl-2-[2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]but-2-enoate
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Formula C21H21N3O4S
InChI InChI=1S/C21H21N3O4S/c1-3-27-20(26)19(13(2)22)17(25)12-29-21-24-23-18(28-21)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12,22H2,1-2H3/b19-13+
InChIKey FLZMKGKLLMOEEV-CPNJWEJPSA-N
Molecular Weight 411.476 g/mol
SMILES N\C(=C/(C(=O)CSc1nnc(o1)Cc1c2c(cccc2)ccc1)C(OCC)=O)C
SPLASH splash10-0a4l-5900000000-046c13a5057e85b95bb8
Source of Spectrum IY-1-4536-9
Wiley ID 1653352