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2-Thiophenecarboxylic acid, 3-amino-4-benzoyl-5-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
SpectraBase Compound ID DEKcpmKiDR8
InChI InChI=1S/C18H19NO5S2/c1-3-23-12(20)10-25-18-13(15(21)11-8-6-5-7-9-11)14(19)16(26-18)17(22)24-4-2/h5-9H,3-4,10,19H2,1-2H3
InChIKey NAZQQXHSGANKFN-UHFFFAOYSA-N
Mol Weight 393.47 g/mol
Molecular Formula C18H19NO5S2
Exact Mass 393.070465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A0tSzO5yhX
Name 2-Thiophenecarboxylic acid, 3-amino-4-benzoyl-5-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
Alternate Name(s) Ethyl 3-amino-4-benzoyl-5-(ethoxycarbonylmethylthio)thiophen-2-carboxylate Ethyl 3-amino-4-benzoyl-5-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-thiophenecarboxylate
CAS Registry Number 126939-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5S2
InChI InChI=1S/C18H19NO5S2/c1-3-23-12(20)10-25-18-13(15(21)11-8-6-5-7-9-11)14(19)16(26-18)17(22)24-4-2/h5-9H,3-4,10,19H2,1-2H3
InChIKey NAZQQXHSGANKFN-UHFFFAOYSA-N
Molecular Weight 393.472 g/mol
SMILES Nc1c(C(=O)OCC)sc(c1C(=O)c1ccccc1)SCC(=O)OCC
SPLASH splash10-0a6u-5988000000-92ba54ca0e59a52abbc6
Source of Spectrum B-42-1306-6
Wiley ID 1366187