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2-(nicotinoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID CKUxALuXKRU
InChI InChI=1S/C18H19N3O3S2/c1-2-24-17(23)14-12-7-3-4-8-13(12)26-16(14)21-18(25)20-15(22)11-6-5-9-19-10-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,21,22,25)
InChIKey MWPPQAKNKTXAHD-UHFFFAOYSA-N
Mol Weight 389.49 g/mol
Molecular Formula C18H19N3O3S2
Exact Mass 389.086784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICFIaRjMEBg
Name N-(3-PYRIDYLCARBONYL)-N'-(3-ETHOXYCARBONYL-4,5-TETRAMETHYLENE-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H19N3O3S2
InChI InChI=1S/C18H19N3O3S2/c1-2-24-17(23)14-12-7-3-4-8-13(12)26-16(14)21-18(25)20-15(22)11-6-5-9-19-10-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,21,22,25)
InChIKey MWPPQAKNKTXAHD-UHFFFAOYSA-N
Molecular Weight 389.0864
SMILES N(C(NC(c1cnccc1)=O)=S)c1sc2CCCCc2c1C(OCC)=O
SPLASH splash10-004i-9520000000-fd513d0af26b4c6a8dfe
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany