sodium (2S)-2-[4-[(3-oxidanylidene-1H-isoindol-2-yl)sulfanyl]phenyl]propanoate

Systemtic Name: sodium (2S)-2-[4-[(3-oxidanylidene-1H-isoindol-2-yl)sulfanyl]phenyl]propanoate Openeye Name: sodium (2S)-2-[4-(1-oxoisoindolin-2-yl)sulfanylphenyl]propanoate CAS Name: sodium (2S)-2-[4-[(3-oxo-1H-isoindol-2-yl)thio]phenyl]propanoate IUPAC Name: sodium (2S)-2-[4-[(3-oxo-1H-isoindol-2-yl)sulfanyl]phenyl]propanoate Traditional Name: sodium (2S)-2-[4-[(1-ketoisoindolin-2-yl)thio]phenyl]propionate Formula: C17H14NNaO3S MolecularWeight: 335.35273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)[O-].[Na+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15NO3S.Na/c1-11(17(20)21)12-6-8-14(9-7-12)22-18-10-13-4-2-3-5-15(13)16(18)19;/h2-9,11H,10H2,1H3,(H,20,21);/q;+1/p-1/t11-;/m0./s1