2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]propanoic acid CAS Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[(2E)-2-[2-keto-2-(4-mesylphenyl)ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CC(CC1=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)(C)C

Isomeric SMILES

CC(C(=O)O)N\1CC(C/C1=C\C(=O)C2=CC=C(C=C2)S(=O)(=O)C)(C)C

InChI

InChI=1S/C18H23NO5S/c1-12(17(21)22)19-11-18(2,3)10-14(19)9-16(20)13-5-7-15(8-6-13)25(4,23)24/h5-9,12H,10-11H2,1-4H3,(H,21,22)/b14-9+