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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CSC1=CC=C(C=C1)OC)C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(CC(CSC1=CC=C(C=C1)OC)C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO5S/c1-13(22-19(23)17-5-3-4-6-18(17)20(22)24)11-14(21(25)26)12-28-16-9-7-15(27-2)8-10-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)