Ethyl 5-acetamido-4-(thiophene-2-carbonylcarbamothioylamino)furan-2-carboxylate

HCID 3877832

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Basic information

CAS: 68967-47-5
Standard SMILES: CCOC(=O)c1cc(NC(=S)NC(=O)c2cccs2)c(NC(C)=O)o1
InChIKey: GYJIDCXTFKDRJI-UHFFFAOYSA-N
Molecular formula: C15H15N3O5S2
Average molar mass: 381.4 g/mol
Monoisotopic mass: 381.04531293

Names & identifiers

Preferred name: Ethyl 5-acetamido-4-(thiophene-2-carbonylcarbamothioylamino)furan-2-carboxylate
IUPAC: ethyl 5-acetamido-4-(thiophene-2-carbonylcarbamothioylamino)furan-2-carboxylate

Names & synonyms

NSC35421668967-47-5ethyl 5-acetamido-4-(thiophene-2-carbonylcarbamothioylamino)furan-2-carboxylateDTXSID40397709NSC-3542165-Acetylamino-4-[3-(thiophene-2-carbonyl)-thioureido]-furan-2-carboxylic acid ethyl esterEthyl 5-acetamido-4-{[(thiophene-2-carbonyl)carbamothioyl]amino}furan-2-carboxylate

Database identifiers

CAS: 68967-47-5
PubChem CID: 3877832
DTXSID: DTXSID40397709

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 170 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 545

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