Basic information
- Standard SMILES
COC(=O)c1nc(N2CCc3cccc(C(=O)N=c4sc5ccccc5n4COCC[Si](C)(C)C)c3C2)sc1Cc1cc(-c2cscc2C#N)ccc1O- InChIKey
CLJHUTPGZUWRHJ-UHFFFAOYSA-N- Molecular formula
- C40H39N5O5S3Si
- Average molar mass
- 794.1 g/mol
- Monoisotopic mass
- 793.18825942
Names & identifiers
- Preferred name
- (E)-methyl 5-(5-(4-cyanothiophen-3-yl)-2-hydroxybenzyl)-2-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate
- IUPAC
- methyl 5-[[5-(4-cyanothiophen-3-yl)-2-hydroxyphenyl]methyl]-2-[8-[[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL2501639SCHEMBL2501640CLJHUTPGZUWRHJ-WDHDNBHHSA-N(E)-methyl 5-(5-(4-cyanothiophen-3-yl)-2-hydroxybenzyl)-2-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate
Database identifiers
- PubChem CID
- 59447680
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
1 records
Compound notes
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