[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H18BrNO5S2/c1-12-4-6-13(7-5-12)27(23,24)20-10-2-3-14(20)18(22)25-11-15(21)16-8-9-17(19)26-16/h4-9,14H,2-3,10-11H2,1H3