methyl 2-[5-methoxy-2-methyl-4-[3-[(5-phenylpyridin-2-yl)amino]propylsulfanyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[5-methoxy-2-methyl-4-[3-[(5-phenylpyridin-2-yl)amino]propylsulfanyl]phenoxy]ethanoate Openeye Name: methyl 2-[5-methoxy-2-methyl-4-[3-[(5-phenyl-2-pyridyl)amino]propylsulfanyl]phenoxy]acetate CAS Name: 2-[5-methoxy-2-methyl-4-[3-[(5-phenyl-2-pyridinyl)amino]propylthio]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-methoxy-2-methyl-4-[3-[(5-phenylpyridin-2-yl)amino]propylsulfanyl]phenoxy]acetate Traditional Name: 2-[5-methoxy-2-methyl-4-[3-[(5-phenyl-2-pyridyl)amino]propylthio]phenoxy]acetic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)OC)OC)SCCCNC2=NC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)OC)OC)SCCCNC2=NC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-18-14-23(22(29-2)15-21(18)31-17-25(28)30-3)32-13-7-12-26-24-11-10-20(16-27-24)19-8-5-4-6-9-19/h4-6,8-11,14-16H,7,12-13,17H2,1-3H3,(H,26,27)