2-[4'-Oxo-3'-chloro-2'-(4-N,N-Dimethylamino)phenylazetidinyl]iminomethyl-1,5-benzothia-4(5H)-one

SpectraBase Compound ID	1HJIulPvfZv
InChI	InChI=1S/C21H21ClN4O2S/c1-25(2)14-9-7-13(8-10-14)20-19(22)21(28)26(20)23-12-15-11-18(27)24-16-5-3-4-6-17(16)29-15/h3-11,19-20,23H,12H2,1-2H3,(H,24,27)
InChIKey	KKAVKXZIMPQABR-UHFFFAOYSA-N Google Search
Mol Weight	428.94 g/mol
Molecular Formula	C21H21ClN4O2S
Exact Mass	428.107375 g/mol

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SpectraBase Spectrum ID	JU9j6VORCiJ
Name	2-[4'-Oxo-3'-chloro-2'-(4-N,N-Dimethylamino)phenylazetidinyl]iminomethyl-1,5-benzothia-4(5H)-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21ClN4O2S
InChI	InChI=1S/C21H21ClN4O2S/c1-25(2)14-9-7-13(8-10-14)20-19(22)21(28)26(20)23-12-15-11-18(27)24-16-5-3-4-6-17(16)29-15/h3-11,19-20,23H,12H2,1-2H3,(H,24,27)
InChIKey	KKAVKXZIMPQABR-UHFFFAOYSA-N
Molecular Weight	428.938 g/mol
SMILES	N(N1C(=O)C(C1c1ccc(cc1)N(C)C)Cl)CC1=CC(Nc2c(S1)cccc2)=O
SPLASH	splash10-0kdj-2941000000-0206f6f3a7e4a370285b
Source of Spectrum	Y1-42-1155-6
Synonyms	2-[[[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1-azetidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one 2-[[[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one 2-[[[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one 2-[[[3-chloranyl-2-[4-(dimethylamino)phenyl]-4-oxidanylidene-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one
Wiley ID	1565213