propan-2-yl 5-aminocarbonyl-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C21H27N4O6S+ MolecularWeight: 463.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C(=O)N

InChI

InChI=1S/C21H26N4O6S/c1-12(2)31-21(29)16-13(3)17(18(22)27)32-19(16)23-15(26)11-24-6-8-25(9-7-24)20(28)14-5-4-10-30-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,22,27)(H,23,26)/p+1