ethyl 2-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C22H25N3O4S/c1-2-28-21(26)13-23-22(27)25-8-6-24(7-9-25)14-19-12-18-11-16(3-4-20(18)29-19)17-5-10-30-15-17/h3-5,10-12,15H,2,6-9,13-14H2,1H3,(H,23,27)