benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate
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![benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1f67a4c00dc643058b48693a45caee3e.png "benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate")
benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate
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CAS No:
311333-75-2
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Formula:
C22H18N2O4S3
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Chemical Name:
benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate
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Synonyms:
MLS000537032;SMR000143669;dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate;MLS003907086;CHEMBL1559467;BDBM39706;cid_1963301;HMS2418M13;ZINC2350444;RSC000620;STK754138;AKOS001707310;MCULE-7566046387;benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate;SR-01000513953;SR-01000513953-1;dibenzyl 2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)disulfanediyl]diacetate;2-[[3-[(2-benzoxy-2-keto-ethyl)thio]-4-cyano-isothiazol-5-yl]thio]acetic acid benzyl ester;benzyl [(3-{[2-(benzyloxy)-2-oxoethyl]thio}-4-cyanoisothiazol-5-yl)thio]acetate;(phenylmethyl) 2-[[4-cyano-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]ethanoate;2-[[4-cyano-3-[(2-oxo-2-phenylmethoxyethyl)thio]-5-isothiazolyl]thio]acetic acid (phenylmethyl) ester;311333-75-2
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CAS No:
benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate Basic Attributes
470.6 g/mol
470.04287058 g/mol
Computed Properties
Molecular Weight:470.6
XLogP3:5.2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:470.04287058
Monoisotopic Mass:470.04287058
Topological Polar Surface Area:168
Heavy Atom Count:31
Complexity:630
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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