2-[6-[4-[4-(2-pyridin-2-ylsulfanylethyl)phenoxy]carbonylpiperazin-1-yl]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-[4-[4-(2-pyridin-2-ylsulfanylethyl)phenoxy]carbonylpiperazin-1-yl]pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-[4-[4-[2-(2-pyridylsulfanyl)ethyl]phenoxy]carbonylpiperazin-1-yl]-3-pyridyl]acetic acid CAS Name: 2-[6-[4-[oxo-[4-[2-(2-pyridinylthio)ethyl]phenoxy]methyl]-1-piperazinyl]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-[4-[4-(2-pyridin-2-ylsulfanylethyl)phenoxy]carbonylpiperazin-1-yl]pyridin-3-yl]acetic acid Traditional Name: 2-[6-[4-[4-[2-(2-pyridylthio)ethyl]phenoxy]carbonylpiperazino]-3-pyridyl]acetic acid Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)CC(=O)O)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)CC(=O)O)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O4S/c30-24(31)17-20-6-9-22(27-18-20)28-12-14-29(15-13-28)25(32)33-21-7-4-19(5-8-21)10-16-34-23-3-1-2-11-26-23/h1-9,11,18H,10,12-17H2,(H,30,31)