2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(benzylthio)-2-phthalimido-propionic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H15NO4S/c20-16-13-8-4-5-9-14(13)17(21)19(16)15(18(22)23)11-24-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,22,23)