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Methyl 6-methyl-2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AhF6BcCuQcy
InChI InChI=1S/C16H17N3O3S/c1-9-3-4-10-12(7-9)23-15(13(10)16(21)22-2)19-14(20)11-8-17-5-6-18-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKey RNQYAAHKVJTRTR-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ket6bxkwkLc
Name Methyl 6-methyl-2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Registry Number 303134-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O3S
InChI InChI=1S/C16H17N3O3S/c1-9-3-4-10-12(7-9)23-15(13(10)16(21)22-2)19-14(20)11-8-17-5-6-18-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKey RNQYAAHKVJTRTR-UHFFFAOYSA-N
Molecular Weight 331.390 g/mol
SMILES N(C(=O)c1cnccn1)c1c(c2CCC(Cc2s1)C)C(OC)=O
SPLASH splash10-003r-9665000000-1a2a126a526cb14f4b40
Source of Spectrum AD-0-2532-0
Synonyms 6-Methyl-2-(pyrazinoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester 6-Methyl-2-[[oxo(2-pyrazinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-(2-pyrazinylcarbonylamino)-, methyl ester Methyl 6-methyl-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 6-methyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1426584