[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H23ClN2O6S2/c1-14-4-2-5-15(12-14)28-11-9-22-18(24)13-29-20(25)16-6-3-10-23(16)31(26,27)19-8-7-17(21)30-19/h2,4-5,7-8,12,16H,3,6,9-11,13H2,1H3,(H,22,24)