1,3-benzothiazol-2-ylmethyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-ethoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-ethoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate Traditional Name: 2-ethoxy-5-(phthalimidomethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H20N2O5S/c1-2-32-21-12-11-16(14-28-24(29)17-7-3-4-8-18(17)25(28)30)13-19(21)26(31)33-15-23-27-20-9-5-6-10-22(20)34-23/h3-13H,2,14-15H2,1H3