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

Systemtic Name: methyl 2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-furylmethyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-furanylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-furfuryl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C23H25N3O4S/c1-29-23(28)21-19(17-6-3-2-4-7-17)16-31-22(21)24-20(27)15-26-11-9-25(10-12-26)14-18-8-5-13-30-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,24,27)