2-[1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-2-[(4-methoxyphenyl)methylsulfanyl]pentanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-2-[(4-methoxyphenyl)methylsulfanyl]pentanoic acid Openeye Name: 2-(1,3-dioxoisoindoline-5-carbonyl)-2-[(4-methoxyphenyl)methylsulfanyl]pentanoic acid CAS Name: 2-[(1,3-dioxo-5-isoindolyl)-oxomethyl]-2-[(4-methoxyphenyl)methylthio]pentanoic acid IUPAC Name: 2-(1,3-dioxoisoindole-5-carbonyl)-2-[(4-methoxyphenyl)methylsulfanyl]pentanoic acid Traditional Name: 2-(1,3-diketoisoindoline-5-carbonyl)-2-(p-anisylthio)valeric acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC2=C(C=C1)C(=O)NC2=O)(C(=O)O)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCC(C(=O)C1=CC2=C(C=C1)C(=O)NC2=O)(C(=O)O)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO6S/c1-3-10-22(21(27)28,30-12-13-4-7-15(29-2)8-5-13)18(24)14-6-9-16-17(11-14)20(26)23-19(16)25/h4-9,11H,3,10,12H2,1-2H3,(H,27,28)(H,23,25,26)