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2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester
SpectraBase Compound ID 7K8EhSbnvHP
InChI InChI=1S/C16H21N3O4S/c1-3-23-14(20)10-13-15(21)17-7-8-19(13)16(24)18-11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,21)(H,18,24)
InChIKey KGSHVFZWRPZTLQ-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C16H21N3O4S
Exact Mass 351.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ap9eSB0JQkw
Name 2-Pyrazineacetic acid, hexahydro-1-[[(3-methoxyphenyl)amino]carbonothioyl]-3-oxo-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O4S
InChI InChI=1S/C16H21N3O4S/c1-3-23-14(20)10-13-15(21)17-7-8-19(13)16(24)18-11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,21)(H,18,24)
InChIKey KGSHVFZWRPZTLQ-UHFFFAOYSA-N
Molecular Weight 351.421 g/mol
SMILES N1C(C(N(C(Nc2cc(OC)ccc2)=S)CC1)CC(=O)OCC)=O
SPLASH splash10-06dr-9700000000-38e5e3b830660f06a6a2
Synonyms 2-[1-[(3-methoxyanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester 2-[3-keto-1-[(3-methoxyphenyl)thiocarbamoyl]piperazin-2-yl]acetic acid ethyl ester Ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate
Wiley ID 1449577