[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate Traditional Name: 3-succinimidobenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c24-18(22-11-12-29-17-7-2-1-3-8-17)14-28-21(27)15-5-4-6-16(13-15)23-19(25)9-10-20(23)26/h1-8,13H,9-12,14H2,(H,22,24)