ethyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H26N3O5S+ MolecularWeight: 468.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H25N3O5S/c1-2-31-24(30)22-18(15-20(33-22)17-7-4-3-5-8-17)25-21(28)16-26-10-12-27(13-11-26)23(29)19-9-6-14-32-19/h3-9,14-15H,2,10-13,16H2,1H3,(H,25,28)/p+1