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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O4S/c22-17(25-11-16-20-14-7-3-4-8-15(14)26-16)9-10-21-18(23)12-5-1-2-6-13(12)19(21)24/h1-8H,9-11H2