Basic information
- CAS
445383-15-3- Standard SMILES
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)sc2c1CCC2- InChIKey
VIKNUIAPFGSABL-UHFFFAOYSA-N- Molecular formula
- C20H18F3N3O3S2
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.07416828
Names & identifiers
- Preferred name
- ethyl 2-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- ethyl 2-[({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C20H18F3N3O3S2
- Molecular weight
- 469.5
Names & synonyms
445383-15-3Ethyl 2-(2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-(2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[(2-{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophAM-807/14147293STK843225AKOS001662322SS-0559CS-0327269ethyl 2-(2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Show more names
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 729
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…