Basic information
- CAS
125605-37-0- Standard SMILES
CCOC(=O)C(=CNc1cscc1C)C(=O)OCC- InChIKey
DHCUPTVWOYRXAU-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.08782902
Names & identifiers
- Preferred name
- Diethyl 2-{[(4-methylthien-3-yl)amino]methylene}malonate
- IUPAC
- diethyl 2-[[(4-methylthiophen-3-yl)amino]methylidene]propanedioate
Names & synonyms
125605-37-0SCHEMBL6318158Diethyl 2-{[(4-methylthien-3-yl)amino]methylene}malonateDHCUPTVWOYRXAU-UHFFFAOYSA-NDTXSID801169510CCG-52262DB-202627SR-01000641506-11,3-Diethyl 2-[[(4-methyl-3-thienyl)amino]methylene]propanedioateDiethyl {[(4-methylthiophen-3-yl)amino]methylidene}propanedioateEthyl 2-ethoxycarbonyl-3-(4-methyl-3-thienylamino)prop-2-enoate2-[[(4-Methyl-3-thienyl)amino]methylene]propanedioic acid 1,3-diethyl ester
Database identifiers
- CAS
125605-37-0- PubChem CID
- 2807959
- DTXSID
DTXSID801169510
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
2 records
Compound notes
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