2-[[3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]sulfanyl]ethanoic acid Openeye Name: 2-(2-benzyl-3-oxo-isoindolin-1-yl)sulfanylacetic acid CAS Name: 2-[[3-oxo-2-(phenylmethyl)-1H-isoindol-1-yl]thio]acetic acid IUPAC Name: 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-benzyl-3-keto-isoindolin-1-yl)thio]acetic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC(=O)O

InChI

InChI=1S/C17H15NO3S/c19-15(20)11-22-17-14-9-5-4-8-13(14)16(21)18(17)10-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,19,20)