2-[[3-[2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[2-[5-methyl-2-(4-methylpiperazin-1-yl)oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[2-[5-methyl-2-(4-methyl-1-piperazinyl)-4-oxazolyl]ethoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[2-[5-methyl-2-(4-methylpiperazino)oxazol-4-yl]ethoxy]benzyl]thio]acetic acid Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)N2CCN(CC2)C)CCOC3=CC=CC(=C3)CSCC(=O)O

Isomeric SMILES

CC1=C(N=C(O1)N2CCN(CC2)C)CCOC3=CC=CC(=C3)CSCC(=O)O

InChI

InChI=1S/C20H27N3O4S/c1-15-18(21-20(27-15)23-9-7-22(2)8-10-23)6-11-26-17-5-3-4-16(12-17)13-28-14-19(24)25/h3-5,12H,6-11,13-14H2,1-2H3,(H,24,25)