3-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-[4-(2-nitrophenyl)thiazol-2-yl]-1-piperidyl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidino]ethyl]phthalide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)CC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)CC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C24H21N3O5S/c28-22(13-21-16-5-1-2-6-17(16)24(29)32-21)26-11-9-15(10-12-26)23-25-19(14-33-23)18-7-3-4-8-20(18)27(30)31/h1-8,14-15,21H,9-13H2