Basic information
- CAS
302577-42-0- Standard SMILES
COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1C(C(=O)OC)CC2- InChIKey
PBAGIEJNEFCCHB-UHFFFAOYSA-N- Molecular formula
- C18H16BrNO5S
- Average molar mass
- 438.3 g/mol
Names & identifiers
- Preferred name
- dimethyl 2-[(4-bromobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
- IUPAC
- dimethyl 2-[(4-bromobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
- English name
- dimethyl 2-[(4-bromobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
- Molecular formula
- C18H16BrNO5S
- Molecular weight
- 438.29
Names & synonyms
dimethyl 2-[(4-bromobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate302577-42-0Oprea1_464260Oprea1_489251STL331815AKOS000537870AKOS016311790EU-0071084ST50182466AF-399/13428010SR-01000429670SR-01000429670-1
Show more names
4H-Cyclopenta[b]thiophene-3,4-dicarboxylic acid, 2-[(4-bromobenzoyl)amino]-5,6-dihydro-, 3,4-dimethyl ester
dimethyl 2-(4-bromobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate3,4-DIMETHYL 2-(4-BROMOBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATEdimethyl 2-{[(4-bromophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylatemethyl 2-[(4-bromophenyl)carbonylamino]-3-(methoxycarbonyl)-4,5,6-trihydrocycl openta[3,2-b]thiophene-4-carboxylate
Database identifiers
- CAS
302577-42-0
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…