Ethyl N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]carbamate
Basic information
- CAS
27285-10-5- Standard SMILES
CCOC(=O)Nc1sc2c(c1C(N)=O)CCCC2- InChIKey
SOADTUPUPCKNLJ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.08816355
Names & identifiers
- Preferred name
- Ethyl N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]carbamate
- IUPAC
- ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
Names & synonyms
27285-10-5Ethyl N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]carbamateEthyl N-(3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo(b)thien-2-yl)carbamateRefChem:344916ethyl (3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamateethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamateCarbamic acid, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-, ethyl esterOprea1_559093CHEMBL577926SCHEMBL5455182DTXSID701148143AKOS000280081
Show more names
NCGC00187610-01ST089768AE-641/12753250SR-01000438045SR-01000438045-12-(ethoxycarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideethyl 3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-ylcarbamate2-(N-Carbathoxy-amino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-carbonsaureamid
Database identifiers
- CAS
27285-10-5- PubChem CID
- 717675
- DTXSID
DTXSID701148143- ChEMBL
CHEMBL577926
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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