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

Systemtic Name: methyl 5-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C17H22N2O3S/c1-21-17(20)16-4-3-15(22-16)12-19-7-2-6-18(8-9-19)11-14-5-10-23-13-14/h3-5,10,13H,2,6-9,11-12H2,1H3