ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-[4-[4-(methylthio)benzyl]piperazino]ethanone; oxalic acid Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3S.C2H2O4/c1-25-18-5-7-19(8-6-18)26-16-21(24)23-13-11-22(12-14-23)15-17-3-9-20(27-2)10-4-17;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)