Basic information
- Standard SMILES
C=CCOc1ccc(C(CC(=O)NC(=NC(=O)OC(C)(C)C)SC)=NOCC)cc1- InChIKey
WTYCUSSNDQLUEX-UHFFFAOYSA-N- Molecular formula
- C21H29N3O5S
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 7-(4-(allyloxy)phenyl)-5-oxo-9-oxa-2-thia-4,8-diazaundec-7-en-3-ylidenecarbamate
- IUPAC
- tert-butyl N-[[[3-ethoxyimino-3-(4-prop-2-enoxyphenyl)propanoyl]amino]-methylsulfanylmethylidene]carbamate
Names & synonyms
SCHEMBL3196003WTYCUSSNDQLUEX-UHFFFAOYSA-Ntert-Butyl 7-(4-(allyloxy)phenyl)-5-oxo-9-oxa-2-thia-4,8-diazaundec-7-en-3-ylidenecarbamate
Database identifiers
- PubChem CID
- 72531903
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 635
Related reactions
3 records
Compound notes
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