3-[5-[2-(4-methylphenyl)sulfanylethanoylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: 3-[5-[2-(4-methylphenyl)sulfanylethanoylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 3-[1,3-dioxo-5-[[2-(p-tolylsulfanyl)acetyl]amino]isoindolin-2-yl]propanoate CAS Name: 3-[5-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-1,3-dioxo-2-isoindolyl]propanoate IUPAC Name: 3-[5-[[2-(4-methylphenyl)sulfanylacetyl]amino]-1,3-dioxoisoindol-2-yl]propanoate Traditional Name: 3-[1,3-diketo-5-[[2-(p-tolylthio)acetyl]amino]isoindolin-2-yl]propionate Formula: C20H17N2O5S- MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-12-2-5-14(6-3-12)28-11-17(23)21-13-4-7-15-16(10-13)20(27)22(19(15)26)9-8-18(24)25/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,24,25)/p-1