| SpectraBase Spectrum ID |
EK90D8oOnvW |
| Name |
Cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21BrN4O3S2 |
| InChI |
InChI=1S/C18H21BrN4O3S2/c1-23-14(11(19)9-20-23)15(24)21-18(27)22-16-13(17(25)26-2)10-7-5-3-4-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,21,22,24,27) |
| InChIKey |
BXPULXIKENDPCE-UHFFFAOYSA-N |
| Molecular Weight |
485.415 g/mol |
| SMILES |
N(c1c(c2CCCCCCc2s1)C(=O)OC)C(NC(c1[n](ncc1Br)C)=O)=S |
| SPLASH |
splash10-059l-9821000000-e129b224c8605bcf9138 |
| Source of Spectrum |
IY-1-4507-8 |
| Synonyms |
2-[[[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
Methyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Methyl 2-[(4-bromo-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Methyl 2-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Wiley ID |
1653061 |
![Cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester](/api/spectrum/EK90D8oOnvW/structure.png?h=300&w=458 "Cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester")
