[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2S)-5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2S)-5-chlorocoumaran-2-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClNO6S/c22-16-5-8-19-15(11-16)12-20(29-19)21(25)28-13-18(24)14-3-6-17(7-4-14)30(26,27)23-9-1-2-10-23/h3-8,11,20H,1-2,9-10,12-13H2/t20-/m0/s1