ethyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-2-33-26(32)24-22(20-8-4-3-5-9-20)18-34-25(24)28-23(31)17-30-13-11-29(12-14-30)16-19-7-6-10-21(27)15-19/h3-10,15,18H,2,11-14,16-17H2,1H3,(H,28,31)