{4-Benzoylamino-5-[2-(2-chloro-acetylamino)-4,5, 6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetic acid methyl ester

SpectraBase Compound ID	3aF5jRpZdUg
InChI	InChI=1S/C23H24ClN5O4S2/c1-33-20(31)13-34-23-27-26-18(29(23)28-21(32)14-7-3-2-4-8-14)11-16-15-9-5-6-10-17(15)35-22(16)25-19(30)12-24/h2-4,7-8H,5-6,9-13H2,1H3,(H,25,30)(H,28,32)
InChIKey	YDXAAUWLVMXRJN-UHFFFAOYSA-N Google Search
Mol Weight	534.05 g/mol
Molecular Formula	C23H24ClN5O4S2
Exact Mass	533.095824 g/mol

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SpectraBase Spectrum ID	G2qeh3XMvHY
Name	{4-Benzoylamino-5-[2-(2-chloro-acetylamino)-4,5, 6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H24ClN5O4S2
InChI	InChI=1S/C23H24ClN5O4S2/c1-33-20(31)13-34-23-27-26-18(29(23)28-21(32)14-7-3-2-4-8-14)11-16-15-9-5-6-10-17(15)35-22(16)25-19(30)12-24/h2-4,7-8H,5-6,9-13H2,1H3,(H,25,30)(H,28,32)
InChIKey	YDXAAUWLVMXRJN-UHFFFAOYSA-N
Molecular Weight	534.049 g/mol
SMILES	N(c1c(Cc2[n](c(nn2)SCC(=O)OC)NC(=O)c2ccccc2)c2c(s1)CCCC2)C(=O)CCl
SPLASH	splash10-003r-0002970000-f0ff90f7af3ef2f83e1a
Source of Spectrum	F2-46-2071-6E
Synonyms	2-[[4-benzamido-5-[[2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Methyl 2-[[4-benzamido-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Methyl 2-[[4-benzamido-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Methyl 2-[[4-benzamido-5-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate
Wiley ID	1689586