[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (2S)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2S)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (2S)-4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H15BrN2O8S2 MolecularWeight: 519.3436

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1[C@H](N(CC1O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H15BrN2O8S2/c18-16-6-5-14(29-16)13(22)9-28-17(23)12-7-10(21)8-19(12)30(26,27)15-4-2-1-3-11(15)20(24)25/h1-6,10,12,21H,7-9H2/t10?,12-/m0/s1