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

Systemtic Name: 2-[[3-[2-(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[2-(2-cyclopropyl-5-methyl-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[2-(2-cyclopropyl-5-methyl-4-oxazolyl)ethoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[2-(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[2-(2-cyclopropyl-5-methyl-oxazol-4-yl)ethoxy]benzyl]thio]acetic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2CC2)CCOC3=CC=CC(=C3)CSCC(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2CC2)CCOC3=CC=CC(=C3)CSCC(=O)O

InChI

InChI=1S/C18H21NO4S/c1-12-16(19-18(23-12)14-5-6-14)7-8-22-15-4-2-3-13(9-15)10-24-11-17(20)21/h2-4,9,14H,5-8,10-11H2,1H3,(H,20,21)