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benzoic acid, 4-[[(2E)-3-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]tetrahydro-4-oxo-6-[(phenylamino)carbonyl]-2H-1,3-thiazin-2-
SpectraBase Compound ID 4njyoWLTuR8
InChI InChI=1S/C32H32N4O4S/c1-4-40-31(39)22-14-16-24(17-15-22)34-32-36(19-18-25-21(2)35(3)27-13-9-8-12-26(25)27)29(37)20-28(41-32)30(38)33-23-10-6-5-7-11-23/h5-17,28H,4,18-20H2,1-3H3,(H,33,38)/b34-32+
InChIKey CCAFLUPZFDCVRI-NWBJSICCSA-N
Mol Weight 568.7 g/mol
Molecular Formula C32H32N4O4S
Exact Mass 568.214427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pSA6FP0uDE
Name 4-[3-[2-(1,2-dimethyl-1H-indol-3-yl)-ethyl]-4-oxo-6-phenylcarbamoyl-[1,3]thiazinan-2-ylideneamino]-benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32N4O4S
InChI InChI=1S/C32H32N4O4S/c1-4-40-31(39)22-14-16-24(17-15-22)34-32-36(19-18-25-21(2)35(3)27-13-9-8-12-26(25)27)29(37)20-28(41-32)30(38)33-23-10-6-5-7-11-23/h5-17,28H,4,18-20H2,1-3H3,(H,33,38)/b34-32+
InChIKey CCAFLUPZFDCVRI-NWBJSICCSA-N
Molecular Weight 568.692 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(C(=O)OCC)cc1)CCc1c([n](C)c2c1cccc2)C)=O)=O)c1ccccc1
SPLASH splash10-00di-4900000000-95eba4232aa3cd4cfc1b
Synonyms Ethyl 4-({(2E)-6-(anilinocarbonyl)-3-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate Ethyl 4-({6-(anilinocarbonyl)-3-[2-(1,2-dimethyl-1H-indol-3-yl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Wiley ID 1436823