2-[[4,5-bis(4-ethylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4,5-bis(4-ethylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4,5-bis(4-ethylsulfanylphenyl)oxazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4,5-bis[4-(ethylthio)phenyl]-2-oxazolyl]thio]acetic acid IUPAC Name: 2-[[4,5-bis(4-ethylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4,5-bis[4-(ethylthio)phenyl]oxazol-2-yl]thio]acetic acid Formula: C21H21NO3S3 MolecularWeight: 431.59134

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)SCC

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)SCC

InChI

InChI=1S/C21H21NO3S3/c1-3-26-16-9-5-14(6-10-16)19-20(25-21(22-19)28-13-18(23)24)15-7-11-17(12-8-15)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,24)