Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)N=c4sc5ccccc5n4COCC[Si](C)(C)C)c3C2)ccc1CCC=O- InChIKey
VCKJNROHVHTDEE-UHFFFAOYSA-N- Molecular formula
- C36H44N4O5SSi
- Average molar mass
- 672.9 g/mol
Names & identifiers
- Preferred name
- (Z)-tert-butyl 3-(3-oxopropyl)-6-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinate
- IUPAC
- tert-butyl 3-(3-oxopropyl)-6-[8-[[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylate
Names & synonyms
SCHEMBL2504014SCHEMBL2504016SCHEMBL2504017VCKJNROHVHTDEE-DIGXQUICSA-N(Z)-tert-butyl 3-(3-oxopropyl)-6-(8-(3-((2-(trimethylsilyl)ethoxy)methyl)benzo[d]thiazol-2(3H)-ylidenecarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinate
Database identifiers
- PubChem CID
- 59447622
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
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