ethyl (2S)-2-azanyl-3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]propanoate Openeye Name: ethyl (2S)-2-amino-3-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]propanoate CAS Name: (2S)-2-amino-3-[3-(1,3-dioxo-2-isoindolyl)propylthio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]propanoate Traditional Name: (2S)-2-amino-3-(3-phthalimidopropylthio)propionic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCCN1C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

CCOC(=O)[C@@H](CSCCCN1C(=O)C2=CC=CC=C2C1=O)N

InChI

InChI=1S/C16H20N2O4S/c1-2-22-16(21)13(17)10-23-9-5-8-18-14(19)11-6-3-4-7-12(11)15(18)20/h3-4,6-7,13H,2,5,8-10,17H2,1H3/t13-/m1/s1