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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-[2-(phenylmethylsulfanyl)ethanoylamino]isoindol-2-yl]propanoate Openeye Name: 3-[5-[(2-benzylsulfanylacetyl)amino]-1,3-dioxo-isoindolin-2-yl]propanoate CAS Name: 3-[1,3-dioxo-5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-isoindolyl]propanoate IUPAC Name: 3-[5-[(2-benzylsulfanylacetyl)amino]-1,3-dioxoisoindol-2-yl]propanoate Traditional Name: 3-[5-[[2-(benzylthio)acetyl]amino]-1,3-diketo-isoindolin-2-yl]propionate Formula: C20H17N2O5S- MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c23-17(12-28-11-13-4-2-1-3-5-13)21-14-6-7-15-16(10-14)20(27)22(19(15)26)9-8-18(24)25/h1-7,10H,8-9,11-12H2,(H,21,23)(H,24,25)/p-1