2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid 2-phthalimidoethyl ester Formula: C25H19N3O4S MolecularWeight: 457.50106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O4S/c29-22-18-9-3-4-10-19(18)23(30)28(22)13-14-32-24(31)17-8-2-1-7-16(17)15-33-25-26-20-11-5-6-12-21(20)27-25/h1-12H,13-15H2,(H,26,27)