1,3-benzothiazol-2-ylmethyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H14N2O4S MolecularWeight: 414.43326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H14N2O4S/c26-21-16-5-1-2-6-17(16)22(27)25(21)15-11-9-14(10-12-15)23(28)29-13-20-24-18-7-3-4-8-19(18)30-20/h1-12H,13H2