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

Systemtic Name: 2-[[3-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[2-(5-methyl-2-phenyl-thiazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[2-(5-methyl-2-phenyl-4-thiazolyl)ethoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[2-(5-methyl-2-phenyl-thiazol-4-yl)ethoxy]benzyl]thio]acetic acid Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=CC=C2)CCOC3=CC=CC(=C3)CSCC(=O)O

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=CC=C2)CCOC3=CC=CC(=C3)CSCC(=O)O

InChI

InChI=1S/C21H21NO3S2/c1-15-19(22-21(27-15)17-7-3-2-4-8-17)10-11-25-18-9-5-6-16(12-18)13-26-14-20(23)24/h2-9,12H,10-11,13-14H2,1H3,(H,23,24)