methyl 5-[[4-(1,2,3-thiadiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(1,2,3-thiadiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(thiadiazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo(4-thiadiazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(thiadiazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(thiadiazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CSN=N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CSN=N3

InChI

InChI=1S/C15H18N4O4S/c1-22-15(21)13-4-3-11(23-13)9-18-5-2-6-19(8-7-18)14(20)12-10-24-17-16-12/h3-4,10H,2,5-9H2,1H3