methylsulfanylmethyl 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: methylsulfanylmethyl 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: methylsulfanylmethyl 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid (methylthio)methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CSCOC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCOC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19NO4S/c1-22-11-21-14(18)9-3-2-6-10-17-15(19)12-7-4-5-8-13(12)16(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3