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

Systemtic Name: methyl 5-[[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C17H21BrN2O3S/c1-22-17(21)15-4-3-13(23-15)11-19-6-2-7-20(9-8-19)12-16-14(18)5-10-24-16/h3-5,10H,2,6-9,11-12H2,1H3