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2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)amino]-2-oxoacetic acid ethyl ester
SpectraBase Compound ID LhzdezUWttk
InChI InChI=1S/C15H13N3O3S/c1-2-21-14(20)13(19)17-18-12-10-6-4-3-5-9(10)7-8-11(12)22-15(18)16/h3-8,16H,2H2,1H3,(H,17,19)
InChIKey PQXXWZDAVXNFDR-UHFFFAOYSA-N
Mol Weight 315.35 g/mol
Molecular Formula C15H13N3O3S
Exact Mass 315.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BoxN7UthaR
Name 2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)amino]-2-oxoacetic acid ethyl ester
CAS Registry Number 115423-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O3S
InChI InChI=1S/C15H13N3O3S/c1-2-21-14(20)13(19)17-18-12-10-6-4-3-5-9(10)7-8-11(12)22-15(18)16/h3-8,16H,2H2,1H3,(H,17,19)
InChIKey PQXXWZDAVXNFDR-UHFFFAOYSA-N
Molecular Weight 315.347 g/mol
SMILES N=C1N(c2c(S1)ccc1c2cccc1)NC(C(=O)OCC)=O
SPLASH splash10-00dj-0390000000-50ce6d8e6bb9a3c1bb78
Source of Spectrum Y-24-1731-5
Synonyms 2-[(2-iminobenzo[e][1,3]benzothiazol-1-yl)amino]-2-keto-acetic acid ethyl ester Ethyl 2-[(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)amino]-2-oxidanylidene-ethanoate Ethyl 2-[(2-iminobenzo[e][1,3]benzothiazol-1-yl)amino]-2-oxo-acetate
Wiley ID 1315871