Ethyl 2-[[3-(aminocarbonyl)-6-bromo-2H-1-benzopyran-2-ylidene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Basic information
- CAS
312636-29-6- Standard SMILES
CCOC(=O)c1c(N=c2oc3ccc(Br)cc3cc2C(N)=O)sc2c1CCCC2- InChIKey
JZKWLRXMGHVRMC-UHFFFAOYSA-N- Molecular formula
- C21H19BrN2O4S
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 474.02489
Names & identifiers
- Preferred name
- Ethyl 2-[[3-(aminocarbonyl)-6-bromo-2H-1-benzopyran-2-ylidene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(6-bromo-3-carbamoylchromen-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
Oprea1_313757DTXSID901105553312636-29-6Ethyl 2-[[3-(aminocarbonyl)-6-bromo-2H-1-benzopyran-2-ylidene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateEU-0035892ethyl 2-[(6-bromo-3-carbamoyl-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
312636-29-6- PubChem CID
- 400019
- DTXSID
DTXSID901105553
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 727
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Compound notes
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