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

Systemtic Name: methyl 2-azanyl-3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]propanoate Openeye Name: methyl 2-amino-3-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]propanoate CAS Name: 2-amino-3-[(1,3-dioxo-2-isoindolyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]propanoate Traditional Name: 2-amino-3-(phthalimidomethylthio)propionic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCN1C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

COC(=O)C(CSCN1C(=O)C2=CC=CC=C2C1=O)N

InChI

InChI=1S/C13H14N2O4S/c1-19-13(18)10(14)6-20-7-15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,10H,6-7,14H2,1H3