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

Systemtic Name: ethyl 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O5S/c1-4-27-20(26)17-13(2)14(3)29-18(17)21-16(24)12-22-7-9-23(10-8-22)19(25)15-6-5-11-28-15/h5-6,11H,4,7-10,12H2,1-3H3,(H,21,24)/p+1