(phenylmethyl) 2-[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3S/c26-22(28-17-18-7-2-1-3-8-18)16-24-11-6-12-25(14-13-24)23(27)21-15-19-9-4-5-10-20(19)29-21/h1-5,7-10,15H,6,11-14,16-17H2