3-[1,3-bis(oxidanylidene)-5-(2-phenylsulfanylethanoylamino)isoindol-2-yl]propanoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(2-phenylsulfanylethanoylamino)isoindol-2-yl]propanoate Openeye Name: 3-[1,3-dioxo-5-[(2-phenylsulfanylacetyl)amino]isoindolin-2-yl]propanoate CAS Name: 3-[1,3-dioxo-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-isoindolyl]propanoate IUPAC Name: 3-[1,3-dioxo-5-[(2-phenylsulfanylacetyl)amino]isoindol-2-yl]propanoate Traditional Name: 3-[1,3-diketo-5-[[2-(phenylthio)acetyl]amino]isoindolin-2-yl]propionate Formula: C19H15N2O5S- MolecularWeight: 383.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c22-16(11-27-13-4-2-1-3-5-13)20-12-6-7-14-15(10-12)19(26)21(18(14)25)9-8-17(23)24/h1-7,10H,8-9,11H2,(H,20,22)(H,23,24)/p-1