[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H22N2O5S/c29-23(27-14-7-15-34-20-10-2-1-3-11-20)17-33-26(32)18-8-6-9-19(16-18)28-24(30)21-12-4-5-13-22(21)25(28)31/h1-6,8-13,16H,7,14-15,17H2,(H,27,29)