2-[4-[(3-oxidanylidene-1H-isoindol-2-yl)sulfanyl]phenyl]butanoic acid

Systemtic Name: 2-[4-[(3-oxidanylidene-1H-isoindol-2-yl)sulfanyl]phenyl]butanoic acid Openeye Name: 2-[4-(1-oxoisoindolin-2-yl)sulfanylphenyl]butanoic acid CAS Name: 2-[4-[(3-oxo-1H-isoindol-2-yl)thio]phenyl]butanoic acid IUPAC Name: 2-[4-[(3-oxo-1H-isoindol-2-yl)sulfanyl]phenyl]butanoic acid Traditional Name: 2-[4-[(1-ketoisoindolin-2-yl)thio]phenyl]butyric acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C18H17NO3S/c1-2-15(18(21)22)12-7-9-14(10-8-12)23-19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)