[5-[[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[1-benzothiophen-2-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O4S/c1-16(25)27-15-19-8-7-18(28-19)14-23-9-4-10-24(12-11-23)22(26)21-13-17-5-2-3-6-20(17)29-21/h2-3,5-8,13H,4,9-12,14-15H2,1H3