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5-(Ethoxycarbonyl)-7-[(4-methylphenyl)amino]thieno[3,2-d][1,3]diazepine
SpectraBase Compound ID IevK6LZ7GI4
InChI InChI=1S/C17H17N3O2S/c1-3-22-16(21)14-10-15-13(8-9-23-15)19-17(20-14)18-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKey YAIQUCLPIGWKAL-UHFFFAOYSA-N
Mol Weight 327.4 g/mol
Molecular Formula C17H17N3O2S
Exact Mass 327.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KwLGYQdvmx
Name 5-(Ethoxycarbonyl)-7-[(4-methylphenyl)amino]thieno[3,2-d][1,3]diazepine
Alternate Name(s) 4-(Ethoxycarbonyl)-2-[(4-methylphenyl)amino]thieno[3,2-d][1,3]diazepine Ethyl 7-(4-toluidino)-1H-thieno[3,2-d][1,3]diazepine-5-carboxylate
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Formula C17H17N3O2S
InChI InChI=1S/C17H17N3O2S/c1-3-22-16(21)14-10-15-13(8-9-23-15)19-17(20-14)18-12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKey YAIQUCLPIGWKAL-UHFFFAOYSA-N
Molecular Weight 327.402 g/mol
SMILES N1c2c(C=C(N=C1Nc1ccc(cc1)C)C(=O)OCC)scc2
SPLASH splash10-0udl-6094000000-5d5e2c4bf682f6e25f0b
Source of Spectrum J-58-5268-14
Wiley ID 1325465