(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H32N2O5S/c1-26(2,3)23(29)17-33-25(31)21-7-5-6-8-22(21)34-18-24(30)28-15-13-27(14-16-28)19-9-11-20(32-4)12-10-19/h5-12H,13-18H2,1-4H3