3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]propanoate

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]propanoate Openeye Name: 3-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]propanoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methylthio]propanoate IUPAC Name: 3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]propanoate Traditional Name: 3-(phthalimidomethylthio)propionate Formula: C12H10NO4S- MolecularWeight: 264.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCCC(=O)[O-]

InChI

InChI=1S/C12H11NO4S/c14-10(15)5-6-18-7-13-11(16)8-3-1-2-4-9(8)12(13)17/h1-4H,5-7H2,(H,14,15)/p-1