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2-[3-(3-Chloro-phenyl)-ureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID 43MNupvbTWN
InChI InChI=1S/C17H17ClN2O3S/c1-23-16(21)14-12-7-2-3-8-13(12)24-15(14)20-17(22)19-11-6-4-5-10(18)9-11/h4-6,9H,2-3,7-8H2,1H3,(H2,19,20,22)
InChIKey ALNNRTDZTKNXBV-UHFFFAOYSA-N
Mol Weight 364.85 g/mol
Molecular Formula C17H17ClN2O3S
Exact Mass 364.064841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9myawiqTfhV
Name 2-[3-(3-Chloro-phenyl)-ureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
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Formula C17H17ClN2O3S
InChI InChI=1S/C17H17ClN2O3S/c1-23-16(21)14-12-7-2-3-8-13(12)24-15(14)20-17(22)19-11-6-4-5-10(18)9-11/h4-6,9H,2-3,7-8H2,1H3,(H2,19,20,22)
InChIKey ALNNRTDZTKNXBV-UHFFFAOYSA-N
Molecular Weight 364.847 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OC)C(Nc1cc(Cl)ccc1)=O
SPLASH splash10-01t9-5940000000-47628077e0de49a92df6
Synonyms 2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester 2-[[(3-chloroanilino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-([(3-chloroanilino)carbonyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1454447