2-[2-[4-[4-[2-(2-chloranylcyclopenten-1-yl)propanoylamino]-1,2-oxazol-3-yl]phenyl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[4-[4-[2-(2-chloranylcyclopenten-1-yl)propanoylamino]-1,2-oxazol-3-yl]phenyl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[4-[4-[2-(2-chlorocyclopenten-1-yl)propanoylamino]isoxazol-3-yl]phenyl]ethylsulfanyl]acetic acid CAS Name: 2-[2-[4-[4-[[2-(2-chloro-1-cyclopentenyl)-1-oxopropyl]amino]-3-isoxazolyl]phenyl]ethylthio]acetic acid IUPAC Name: 2-[2-[4-[4-[2-(2-chlorocyclopenten-1-yl)propanoylamino]-1,2-oxazol-3-yl]phenyl]ethylsulfanyl]acetic acid Traditional Name: 2-[2-[4-[4-[2-(2-chlorocyclopenten-1-yl)propanoylamino]isoxazol-3-yl]phenyl]ethylthio]acetic acid Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(CCC1)Cl)C(=O)NC2=CON=C2C3=CC=C(C=C3)CCSCC(=O)O

Isomeric SMILES

CC(C1=C(CCC1)Cl)C(=O)NC2=CON=C2C3=CC=C(C=C3)CCSCC(=O)O

InChI

InChI=1S/C21H23ClN2O4S/c1-13(16-3-2-4-17(16)22)21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)9-10-29-12-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26)