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2-(2-Bromo-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester
SpectraBase Compound ID LQYgVHt1TlK
InChI InChI=1S/C19H20BrNO3S/c1-11(2)24-19(23)16-13-8-4-6-10-15(13)25-18(16)21-17(22)12-7-3-5-9-14(12)20/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,21,22)
InChIKey AQXTVIQPIMOQJY-UHFFFAOYSA-N
Mol Weight 422.34 g/mol
Molecular Formula C19H20BrNO3S
Exact Mass 421.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 230nNdXdLkp
Name 2-(2-Bromo-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20BrNO3S
InChI InChI=1S/C19H20BrNO3S/c1-11(2)24-19(23)16-13-8-4-6-10-15(13)25-18(16)21-17(22)12-7-3-5-9-14(12)20/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,21,22)
InChIKey AQXTVIQPIMOQJY-UHFFFAOYSA-N
Molecular Weight 422.337 g/mol
SMILES N(c1c(C(OC(C)C)=O)c2c(CCCC2)s1)C(c1c(Br)cccc1)=O
SPLASH splash10-053i-0900000000-9c1303b484a586390983
Synonyms 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester 2-[[(2-bromophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester Isopropyl 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate isopropyl 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Propan-2-yl 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Propan-2-yl 2-[(2-bromophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1462300