2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid 2-phthalimidoethyl ester Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C21H16N2O4S2/c24-19-17-3-1-2-4-18(17)20(25)23(19)9-10-27-21(26)14-5-7-16(8-6-14)29-12-15-11-28-13-22-15/h1-8,11,13H,9-10,12H2