[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate CAS Name: 2-(1H-benzimidazol-2-ylthio)acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate Traditional Name: 2-(1H-benzimidazol-2-ylthio)acetic acid phthalimidomethyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H13N3O4S/c22-15(9-26-18-19-13-7-3-4-8-14(13)20-18)25-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20)