2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-[(4-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-nitrobenzyl)thio]-2-phthalimido-propionic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CSCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CSCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H14N2O6S/c21-16-13-3-1-2-4-14(13)17(22)19(16)15(18(23)24)10-27-9-11-5-7-12(8-6-11)20(25)26/h1-8,15H,9-10H2,(H,23,24)