3-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid Openeye Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]propanoic acid CAS Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]propanoic acid Traditional Name: 3-[(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:

CC1(CC(=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)N(C1)CCC(=O)O)C

Isomeric SMILES

CC1(C/C(=C\C(=O)C2=CC=C(C=C2)S(=O)(=O)C)/N(C1)CCC(=O)O)C

InChI

InChI=1S/C18H23NO5S/c1-18(2)11-14(19(12-18)9-8-17(21)22)10-16(20)13-4-6-15(7-5-13)25(3,23)24/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,22)/b14-10+