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2-[(6-Methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 2-bromobenzoate
SpectraBase Compound ID AP0BLjXn01x
InChI InChI=1S/C17H13BrN2O4S/c1-23-10-6-7-13-14(8-10)25-17(19-13)20-15(21)9-24-16(22)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKey FWDSJGDPRAXLAN-UHFFFAOYSA-N
Mol Weight 421.27 g/mol
Molecular Formula C17H13BrN2O4S
Exact Mass 419.977941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hUkbjZUu1Z
Name 2-[(6-Methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl 2-bromobenzoate
CAS Registry Number 339153-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrN2O4S
InChI InChI=1S/C17H13BrN2O4S/c1-23-10-6-7-13-14(8-10)25-17(19-13)20-15(21)9-24-16(22)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKey FWDSJGDPRAXLAN-UHFFFAOYSA-N
Molecular Weight 421.265 g/mol
SMILES N(c1nc2ccc(cc2s1)OC)C(=O)COC(c1c(Br)cccc1)=O
SPLASH splash10-053r-2910000000-eeb858e06a60b6c7f5b5
Synonyms 2-Bromo-benzoic acid (6-methoxy-benzothiazol-2-ylcarbamoyl)-methyl ester 2-Bromobenzoic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-bromobenzoate [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-bromobenzoate [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate
Wiley ID 1461734