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Benzoic acid, 3-(5-amino-1,3,4-thiadiazol-2-ylthio)acetylamino-, isopropyl ester
SpectraBase Compound ID Ewj6n9Q7SXn
InChI InChI=1S/C14H16N4O3S2/c1-8(2)21-12(20)9-4-3-5-10(6-9)16-11(19)7-22-14-18-17-13(15)23-14/h3-6,8H,7H2,1-2H3,(H2,15,17)(H,16,19)
InChIKey KAVLQPKLORUJNG-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C14H16N4O3S2
Exact Mass 352.066383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xLTv70FjI7
Name Benzoic acid, 3-(5-amino-1,3,4-thiadiazol-2-ylthio)acetylamino-, isopropyl ester
CAS Registry Number 12-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O3S2
InChI InChI=1S/C14H16N4O3S2/c1-8(2)21-12(20)9-4-3-5-10(6-9)16-11(19)7-22-14-18-17-13(15)23-14/h3-6,8H,7H2,1-2H3,(H2,15,17)(H,16,19)
InChIKey KAVLQPKLORUJNG-UHFFFAOYSA-N
Molecular Weight 352.427 g/mol
SMILES N(C(CSc1sc(nn1)N)=O)c1cc(C(OC(C)C)=O)ccc1
SPLASH splash10-00di-3900000000-73d347b4f0d473b39f44
Synonyms 3-[2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Isopropyl 3-({[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate isopropyl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Propan-2-yl 3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Propan-2-yl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Wiley ID 1456079