2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: 2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-(benzylthio)-2-(1-ketoisoindolin-2-yl)propionic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1C(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO3S/c20-17-15-9-5-4-8-14(15)10-19(17)16(18(21)22)12-23-11-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,21,22)