[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid phthalimidomethyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O4S2/c23-17(10-5-11-27-20-21-15-8-3-4-9-16(15)28-20)26-12-22-18(24)13-6-1-2-7-14(13)19(22)25/h1-4,6-9H,5,10-12H2