1,3-benzothiazol-2-ylmethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12N2O4S/c21-16(24-10-15-19-13-7-3-4-8-14(13)25-15)9-20-17(22)11-5-1-2-6-12(11)18(20)23/h1-8H,9-10H2