methyl 5-[[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(4-pyridyl)thiazole-4-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(4-pyridyl)thiazole-4-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O4S/c1-28-21(27)18-4-3-16(29-18)13-24-9-2-10-25(12-11-24)20(26)17-14-30-19(23-17)15-5-7-22-8-6-15/h3-8,14H,2,9-13H2,1H3