SpectraBase Spectrum ID |
JI6Wsn0Vzix |
Name |
{4-Acetylamino-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 |
C18H22ClN5O4S2 |
InChI |
InChI=1S/C18H22ClN5O4S2/c1-10(25)23-24-14(21-22-18(24)29-9-16(27)28-2)7-12-11-5-3-4-6-13(11)30-17(12)20-15(26)8-19/h3-9H2,1-2H3,(H,20,26)(H,23,25) |
InChIKey |
HQFJBXLSAXETSZ-UHFFFAOYSA-N |
Molecular Weight |
471.978 g/mol |
SMILES |
N(c1c(Cc2[n](c(nn2)SCC(=O)OC)NC(=O)C)c2c(s1)CCCC2)C(=O)CCl |
SPLASH |
splash10-03k9-3420900000-eaafbb574600be96656f |
Source of Spectrum |
F2-46-2071-6l |
Synonyms |
2-[[4-acetamido-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-acetamido-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-acetamido-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Methyl 2-[[4-acetamido-5-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate |
Wiley ID |
1689585 |