Basic information
- CAS
317325-66-9- Standard SMILES
CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCCCC2- InChIKey
SARJQOUQQUWSEH-UHFFFAOYSA-N- Molecular formula
- C18H23N3O3S2
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- ethyl 2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- English name
- ethyl 2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- Molecular formula
- C18H23N3O3S2
- Molecular weight
- 393.52352
Names & synonyms
ethyl 2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateOprea1_365115STK762482AKOS001617115ethyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAG-205/13866020SR-01000434343SR-01000434343-1ETHYL 2-({2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ACETYL}AMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
Database identifiers
- CAS
317325-66-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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