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

Systemtic Name: 3-[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-(4-tert-butylthiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[4-(4-tert-butylthiazol-2-yl)piperidino]-2-keto-ethyl]phthalide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H26N2O3S/c1-22(2,3)18-13-28-20(23-18)14-8-10-24(11-9-14)19(25)12-17-15-6-4-5-7-16(15)21(26)27-17/h4-7,13-14,17H,8-12H2,1-3H3