(phenylmethyl) 2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c23-19(14-18-8-4-13-26-18)22-10-5-9-21(11-12-22)15-20(24)25-16-17-6-2-1-3-7-17/h1-4,6-8,13H,5,9-12,14-16H2