4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester
Basic information
- CAS
199167-77-6- Standard SMILES
COC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1- InChIKey
VVYFDUGNDSIVAM-UHFFFAOYSA-N- Molecular formula
- C12H9NO4S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.02522894
Names & identifiers
- Preferred name
- 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester
- IUPAC
- methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Names & synonyms
199167-77-64-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl estermethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoateSCHEMBL211435DTXSID90345639VVYFDUGNDSIVAM-UHFFFAOYSA-N
Database identifiers
- CAS
199167-77-6- PubChem CID
- 606003
- DTXSID
DTXSID90345639- EC Number
- 151-684-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Related reactions
5 records
Compound notes
Loading…