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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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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)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H18ClNO5S2/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/t14-/m0/s1