Basic information
- Standard SMILES
COC(=O)c1nc2c(s1)C(C)(O)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2- InChIKey
YUHCTMYUGXGXQV-LBAQZLPGSA-N- Molecular formula
- C21H20N2O6S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.10420754
Names & identifiers
- Preferred name
- methyl 4-hydroxy-9-(((R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-4-methyl-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylate
- IUPAC
- methyl 4-hydroxy-9-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-4-methyl-5H-[1]benzoxepino[5,4-d][1,3]thiazole-2-carboxylate
Names & synonyms
SCHEMBL15193560YUHCTMYUGXGXQV-LBAQZLPGSA-Nmethyl 4-hydroxy-9-(((R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-4-methyl-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylate
Database identifiers
- PubChem CID
- 86693409
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 795
Related reactions
1 records
Compound notes
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