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Ethyl 2-[(ethoxycarbonylmethyl)thiocarbonyl]amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID 7sQNRYBG8E2
InChI InChI=1S/C16H21NO4S2/c1-3-20-13(18)9-12(22)17-15-14(16(19)21-4-2)10-7-5-6-8-11(10)23-15/h3-9H2,1-2H3,(H,17,22)
InChIKey LXZUVGRSVDTNCD-UHFFFAOYSA-N
Mol Weight 355.47 g/mol
Molecular Formula C16H21NO4S2
Exact Mass 355.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLnJqJCbCIT
Name Ethyl 2-[(ethoxycarbonylmethyl)thiocarbonyl]amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Alternate Name(s) Ethyl 2-[(3-ethoxy-3-oxopropanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C16H21NO4S2
InChI InChI=1S/C16H21NO4S2/c1-3-20-13(18)9-12(22)17-15-14(16(19)21-4-2)10-7-5-6-8-11(10)23-15/h3-9H2,1-2H3,(H,17,22)
InChIKey LXZUVGRSVDTNCD-UHFFFAOYSA-N
Molecular Weight 355.467 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(CC(=O)OCC)=S
SPLASH splash10-052b-0924000000-e2adf84b7a8f8679d1ee
Source of Spectrum U-1995-447-4
Wiley ID 766656