3-[2-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-1-piperidyl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-1-piperidinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidino]-2-keto-ethyl]phthalide Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C(N=C(S1)C2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H23BrN2O3S/c1-15-23(16-6-8-18(26)9-7-16)27-24(32-15)17-10-12-28(13-11-17)22(29)14-21-19-4-2-3-5-20(19)25(30)31-21/h2-9,17,21H,10-14H2,1H3