4-azidobutyl 6-(5-methoxy-5-oxidanylidene-pentyl)-2-oxidanylidene-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate

Systemtic Name: 4-azidobutyl 6-(5-methoxy-5-oxidanylidene-pentyl)-2-oxidanylidene-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate Openeye Name: 4-azidobutyl 6-(5-methoxy-5-oxo-pentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate CAS Name: 6-(5-methoxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylic acid 4-azidobutyl ester IUPAC Name: 4-azidobutyl 6-(5-methoxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-3-carboxylate Traditional Name: 2-keto-6-(5-keto-5-methoxy-pentyl)-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazole-3-carboxylic acid 4-azidobutyl ester Formula: C16H25N5O5S MolecularWeight: 399.4652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(=O)OCCCCN=[N+]=[N-]

Isomeric SMILES

COC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(=O)OCCCCN=[N+]=[N-]

InChI

InChI=1S/C16H25N5O5S/c1-25-13(22)7-3-2-6-12-14-11(10-27-12)21(15(23)19-14)16(24)26-9-5-4-8-18-20-17/h11-12,14H,2-10H2,1H3,(H,19,23)