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7-Chloro-5-(4-methyl-1-piperazinyl)-2-thieno[2,3-b][1,4]benzoxazepinecarboxylic acid methyl ester
SpectraBase Compound ID HEVux3AREiX
InChI InChI=1S/C18H18ClN3O3S/c1-21-5-7-22(8-6-21)16-12-9-11(19)3-4-14(12)25-18-13(20-16)10-15(26-18)17(23)24-2/h3-4,9-10H,5-8H2,1-2H3
InChIKey ZBZNHJUDVLDQQS-UHFFFAOYSA-N
Mol Weight 391.87 g/mol
Molecular Formula C18H18ClN3O3S
Exact Mass 391.07574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6Xhp0UrmG4
Name 7-Chloro-5-(4-methyl-1-piperazinyl)-2-thieno[2,3-b][1,4]benzoxazepinecarboxylic acid methyl ester
Alternate Name(s) 7-Chloro-5-(4-methylpiperazino)thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester Methyl 7-chloranyl-5-(4-methylpiperazin-1-yl)thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Methyl 7-chloro-5-(4-methylpiperazin-1-yl)thieno[2,3-b][1,4]benzoxazepine-2-carboxylate
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Formula C18H18ClN3O3S
InChI InChI=1S/C18H18ClN3O3S/c1-21-5-7-22(8-6-21)16-12-9-11(19)3-4-14(12)25-18-13(20-16)10-15(26-18)17(23)24-2/h3-4,9-10H,5-8H2,1-2H3
InChIKey ZBZNHJUDVLDQQS-UHFFFAOYSA-N
Molecular Weight 391.873 g/mol
SMILES C1(=Nc2c(sc(c2)C(=O)OC)Oc2c1cc(cc2)Cl)N1CCN(CC1)C
SPLASH splash10-00kg-2029000000-3b62a298d17edcc6d21a
Source of Spectrum Y-31-1057-6
Wiley ID 761701