[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(1-ethanoylbenzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(1-ethanoylbenzimidazol-2-yl)sulfanylpropanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-(1-acetylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: 2-[(1-acetyl-2-benzimidazolyl)thio]propanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-(1-acetylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: 2-[(1-acetylbenzimidazol-2-yl)thio]propionic acid phthalimidomethyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)SC3=NC4=CC=CC=C4N3C(=O)C

Isomeric SMILES

CC(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)SC3=NC4=CC=CC=C4N3C(=O)C

InChI

InChI=1S/C21H17N3O5S/c1-12(30-21-22-16-9-5-6-10-17(16)24(21)13(2)25)20(28)29-11-23-18(26)14-7-3-4-8-15(14)19(23)27/h3-10,12H,11H2,1-2H3