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1H-Indole-2-carboxylic acid, 6-methoxy-3-[[2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetyl]amino]-, methyl ester
SpectraBase Compound ID Af3OQeaCqTC
InChI InChI=1S/C20H17N3O5S/c1-27-11-7-8-12-13(9-11)21-18(19(25)28-2)17(12)22-16(24)10-23-14-5-3-4-6-15(14)29-20(23)26/h3-9,21H,10H2,1-2H3,(H,22,24)
InChIKey IQCLTESULLJSBU-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C20H17N3O5S
Exact Mass 411.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IpJ5agqtA6
Name 1H-Indole-2-carboxylic acid, 6-methoxy-3-[[2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetyl]amino]-, methyl ester
Alternate Name(s) 6-Methoxy-3-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester Methyl 6-methoxy-3-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-1H-indole-2-carboxylate Methyl 6-methoxy-3-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]-1H-indole-2-carboxylate
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Formula C20H17N3O5S
InChI InChI=1S/C20H17N3O5S/c1-27-11-7-8-12-13(9-11)21-18(19(25)28-2)17(12)22-16(24)10-23-14-5-3-4-6-15(14)29-20(23)26/h3-9,21H,10H2,1-2H3,(H,22,24)
InChIKey IQCLTESULLJSBU-UHFFFAOYSA-N
Molecular Weight 411.432 g/mol
SMILES [nH]1c2cc(ccc2c(c1C(=O)OC)NC(CN1C(Sc2c1cccc2)=O)=O)OC
SPLASH splash10-06y9-2920000000-3542e0604f1762714625
Source of Spectrum IY-1-4511-5
Wiley ID 1653098