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benzo[b]thiophene-3-carboxylic acid, 2-[[[(2,4-dichlorobenzoyl)amino]carbonothioyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzo[b]thiophene-3-carboxylic acid, 2-[[[(2,4-dichlorobenzoyl)amino]carbonothioyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID Lkw8PVZHE5P
InChI InChI=1S/C18H16Cl2N2O3S2/c1-25-17(24)14-11-4-2-3-5-13(11)27-16(14)22-18(26)21-15(23)10-7-6-9(19)8-12(10)20/h6-8H,2-5H2,1H3,(H2,21,22,23,26)
InChIKey VAQUXSQUWWRCKU-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C18H16Cl2N2O3S2
Exact Mass 441.99794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ft25AAysBV
Name 2-[(2,4-dichlorobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
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Formula C18H16Cl2N2O3S2
InChI InChI=1S/C18H16Cl2N2O3S2/c1-25-17(24)14-11-4-2-3-5-13(11)27-16(14)22-18(26)21-15(23)10-7-6-9(19)8-12(10)20/h6-8H,2-5H2,1H3,(H2,21,22,23,26)
InChIKey VAQUXSQUWWRCKU-UHFFFAOYSA-N
Molecular Weight 443.363 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OC)C(NC(c1c(cc(cc1)Cl)Cl)=O)=S
SPLASH splash10-0fmi-3930100000-96a7a5d25351d0a0325d
Synonyms 2-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-[(2,4-dichlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[(2,4-dichlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1454450