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

Systemtic Name: ethyl 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H26N3O6S+ MolecularWeight: 472.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H25N3O6S/c1-3-30-23(29)20-16(17-7-6-15(2)32-17)14-33-21(20)24-19(27)13-25-8-10-26(11-9-25)22(28)18-5-4-12-31-18/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,24,27)/p+1