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

Systemtic Name: 2-azanyl-3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(1,3-dioxo-2-isoindolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-(phthalimidomethylthio)propionic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H12N2O4S/c13-9(12(17)18)5-19-6-14-10(15)7-3-1-2-4-8(7)11(14)16/h1-4,9H,5-6,13H2,(H,17,18)