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Ethyl 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methoxy-1-benzofuran-3-carboxylate
SpectraBase Compound ID 1PHe7dLGpnu
InChI InChI=1S/C20H17NO4S2/c1-3-24-19(22)18-13-10-12(23-2)8-9-15(13)25-16(18)11-26-20-21-14-6-4-5-7-17(14)27-20/h4-10H,3,11H2,1-2H3
InChIKey FFMNEWCSBPVBAI-UHFFFAOYSA-N
Mol Weight 399.48 g/mol
Molecular Formula C20H17NO4S2
Exact Mass 399.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUI0ZrRYbWD
Name Ethyl 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methoxy-1-benzofuran-3-carboxylate
Alternate Name(s) 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-methoxy-benzofuran-3-carboxylic acid ethyl ester Benzofurane-3-carboxylic acid, 2-(benzothiazol-2-ylthiomethyl)-5-methoxy-, ethyl ester Ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methoxy-benzofuran-3-carboxylate
CAS Registry Number 40963-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO4S2
InChI InChI=1S/C20H17NO4S2/c1-3-24-19(22)18-13-10-12(23-2)8-9-15(13)25-16(18)11-26-20-21-14-6-4-5-7-17(14)27-20/h4-10H,3,11H2,1-2H3
InChIKey FFMNEWCSBPVBAI-UHFFFAOYSA-N
Molecular Weight 399.479 g/mol
SMILES c1(c(oc2c1cc(cc2)OC)CSc1nc2ccccc2s1)C(=O)OCC
SPLASH splash10-0udi-2349000000-b09faac7b613ba6a08e4
Source of Spectrum AD-0-2532-0
Wiley ID 1432774