methyl 2-[4-(3-acetamido-3-thiophen-2-yl-propanoyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(3-acetamido-3-thiophen-2-yl-propanoyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-[3-acetamido-3-(2-thienyl)propanoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-acetamido-3-thiophen-2-ylpropanoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-[3-acetamido-3-(2-thienyl)propanoyl]piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C22H26ClN3O4S/c1-15(27)24-18(19-4-3-13-31-19)14-20(28)25-9-11-26(12-10-25)21(22(29)30-2)16-5-7-17(23)8-6-16/h3-8,13,18,21H,9-12,14H2,1-2H3,(H,24,27)