methyl 4-[[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[1-benzothiophen-2-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S/c1-28-23(27)18-9-7-17(8-10-18)16-24-11-4-12-25(14-13-24)22(26)21-15-19-5-2-3-6-20(19)29-21/h2-3,5-10,15H,4,11-14,16H2,1H3