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

Systemtic Name: ethyl 2-[[(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5S/c1-3-32-25(31)19-16-21(18-8-5-4-6-9-18)34-23(19)26-22(29)17(2)27-11-13-28(14-12-27)24(30)20-10-7-15-33-20/h4-10,15-17H,3,11-14H2,1-2H3,(H,26,29)/p+1/t17-/m0/s1