ethyl 2-[2-[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-(2-furylmethylcarbamoyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-[(2-furanylmethylamino)-oxomethyl]-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-2-(2-furfurylcarbamoyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCCC3C(=O)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCC[C@H]3C(=O)NCC4=CC=CO4

InChI

InChI=1S/C26H29N3O5S/c1-3-33-26(32)23-22(18-9-5-4-6-10-18)17(2)35-25(23)28-21(30)16-29-13-7-12-20(29)24(31)27-15-19-11-8-14-34-19/h4-6,8-11,14,20H,3,7,12-13,15-16H2,1-2H3,(H,27,31)(H,28,30)/p+1/t20-/m0/s1