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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-methoxyphenyl)sulfanylmethyl]pentanoic acid Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-2-[(4-methoxyphenyl)sulfanylmethyl]pentanoic acid CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-[[(4-methoxyphenyl)thio]methyl]pentanoic acid IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)sulfanylmethyl]pentanoic acid Traditional Name: 2-[[(4-methoxyphenyl)thio]methyl]-5-phthalimido-valeric acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-27-15-8-10-16(11-9-15)28-13-14(21(25)26)5-4-12-22-19(23)17-6-2-3-7-18(17)20(22)24/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26)